SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AZOBR_RS19480 FitnessBrowser__azobra:AZOBR_RS19480 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

Q5SKN9 Long-chain-fatty-acid--CoA ligase; Long-chain fatty acyl-CoA synthetase; LC-FACS; EC 6.2.1.3 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
37% identity, 94% coverage: 26:545/556 of query aligns to 18:535/541 of Q5SKN9

query
sites
Q5SKN9

L

L

S

N

P

L

L

W

S

D

F

F

L

L

K

E

R

R

A

A

K

A

V

L

Y

F

P

G

D

R

K

K

P

E

A

V

I

V

R

S

-

R

-

L

-

H

-

T

-

G

H

E

G

V

R

H

R

R

T

T

I

-

T

T

Y

Y

A

A

Q

E

F

V

H

Y

D

Q

R

R

V

A

R

R

F

L

A

M

G

G

A

G

L

L

L

R

R

A

A

L

G

G

V

V

R

G

R

V

G

G

D

D

T

R

V

V

S

A

V

T

L

L

A

G

P

F

N

N

V

H

P

F

A

R

L

H

L

L

E

E

A

A

H

Y

Y

F

A

A

V

V

P

P

L

G

A

M

G

G

A

A

V

V

L

L

N

H

A

T

L

A

N

N

T

P

R

R

L

L

D

S

A

P

A

K

A

E

I

I

A

A

F

Y

I

I

L

L

D

N

H

H

S

A

E

E

T

D

K

K

L

V

L

L

I

L

V

F

D

D

R

P

E

N

L

L

S

L

P

P

V

L

A

V

K

E

A

A

A

I

L

R

A

G

R

E

T

L

E

K

R

T

P

V

I

Q

T

H

L

F

V

V

E

-

I

V

A

M

D

D

E

E

Q

K

A

A

P

P

D

E

A

-

P

-

S

-

L

-

G

G

A

Y

V

L

E

A

Y

Y

E

E

D

E

F

A

L

L

A

G

A

E

-

E

A

A

D

D

P

P

A

V

P

R

W

-

H

-

G

-

P

-

D

V

D

P

E

E

W

R

Q

A

A

A

I

C

A

G

L

M

N

A

Y

Y

T
|
T

S

T

G

G

T

T

G

G

N

L

P

P

K

K

G

G

V

V

Y

Y

H

S

H

H

R

R

G

A

A

L

Y

V

L

L

N

H

A

S

L

L

G

A

N

A

A

S

F

L

T

V

-

D

-

G

L

T

N

A

V

L

R

S

P

E

E

K

S

D

V

V

F

V

L

L

W

P

T

V

L

V

P

P

M

M

F

F

H

H

C

V

N

N

G

A

W

W

T

C

Y

L

S

P

W

Y

A

A

V

A

T

T

A

L

A

V

G

G

G

A

T

K

H

Q

V

V

C

L

L

P

R

G

-

P

R

R

V

L

E

D

P

P

A

A

A

S

I

L

F

V

D

E

A

L

I

F

A

D

E

G

L

E

G

G

V

V

T

T

H

F

L

T

C

A

G

G

A

V

P

P

I

T

V

V

L

W

N

L

M

A

L

L

I

A

H

D

A

Y

P

L

A

E

A

S

V

T

-

G

-

H

R

R

R

L

P

K

A

T

P

L

R

R

V

L

I

V

V

V

G

G

T

-

G

-

G
|
G

A

S

A

A

P

A

P

P

S

R

A

S

V

L

L

I

A

A

G

R

M

F

A

E

T

R

L

M

G

G

F

V

E

E

V

V

V

R

H
x
Q

M
x
G

Y

Y

G

G

L

L

T
|
T

E
|
E

C

T

Y

S

G

P

P

V

A

V

T

V

V

Q

C

N

A

F

P

V

Q

K

D

S

G

H

W

L

E

E

D

S

L

L

D

S

A

E

D

E

G

E

L

K

A

L

L

T

Q

L

F

K

A

A

R

K

Q

T

G

G

V

L

N

P

H

-

V

I

A

P

V

L

E

V

D

R

A

L

T

R

V

V

L

A

D

D

R

E

E

E

T

-

G

G

R

R

P

P

V

V

P

P

A

K

D

D

A

G

Q

K

T

A

I

L

G

G

E

E

I

V

A

Q

L

L

R

K

G

G

N

P

T

W

V

I

M

T

K

G

G

G

Y

Y

L

Y

K

G

N

N

P

E

A

E

A

A

T

T

K

R

E

S

A

A

L

L

K

T

-

P

D

D

G

G

W

F

F

F

R

R

T

T

G

G

D
|
D

L

I

G

A

V

V

L

W

H

D

P

E

D

E

G

G

Y

Y

I

V

E

E

V

I

K

K

D

D

R

R

S

L

K
|
K

D

D

I

L

I

I

I
x
K

S

S

G

G

E

E

N

W

I

I

S

S

L

V

E

D

V

L

E

E

E

N

A

A

L

L

Y

M

R

G

H

H

P

P

A

K

V

V

L

K

E

E

A

A

V

V

A

A

R

I

P

P

D

H

D

P

R

K

W

W

G

Q

E

E

S

R

P

P

C

L

A

A

F

V

V

V

T

V

V

-

K

-

P

P

G

R

A

G

E

E

R

K

P

P

S

T

E

P

S

E

D

E

I

L

I

N

Q

E

-

H

W

L

C

L

R

K

D

A

R

G

I

F

A

A

H

K

Y

W

K

Q

V

L

P

P

R

D

T

A

V

Y

V

V

F

F

S

A

-

E

D

E

L

I

P

P

K

R

T

T

S

S

T

A

G

G

K

K

I

F

Q

L

K

K

T

R

V

A

L

L

R

R

D

E

A

Q

A

Y

R

K

T184 (= T196) binding Mg(2+)
G302 (= G311) binding tetradecanoyl-AMP
Q322 (≠ H331) binding tetradecanoyl-AMP
G323 (≠ M332) binding tetradecanoyl-AMP
T327 (= T336) binding tetradecanoyl-AMP
E328 (= E337) binding Mg(2+)
D418 (= D428) binding tetradecanoyl-AMP
K435 (= K445) binding tetradecanoyl-AMP
K439 (≠ I449) binding tetradecanoyl-AMP

P9WQ37 Long-chain-fatty-acid--CoA ligase FadD13; Fatty acyl-CoA ligase; FACL; FACL13; Fatty acyl-CoA synthetase; ACS; FACS; Very-long-chain fatty-acyl-CoA synthetase; ACSVL; EC 6.2.1.3 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 4 papers)
35% identity, 88% coverage: 52:542/556 of query aligns to 30:495/503 of P9WQ37

query
sites
P9WQ37

I

M

T

T

Y

Y

A

A

Q

Q

F

M

H

N

D

A

R

L

V

A

R

N

R

R

F

C

A

A

G

D

A

V

L

L

L

T

R

A

A

L

G

G

V

I

R

A

R

K

G

G

D

D

T

R

V

V

S

A

V

L

L

L

A

M

P

P

N

N

V

S

P

V

A

E

L

F

L

C

E

C

A

L

H

F

Y

Y

A

G

V

A

P

A

L

K

A

L

G

G

A

A

V

V

L

A

N

V

A

P

L

I

N

N

T

T

R

R

L

L

D

A

A

A

A

P

A

E

I

V

A

S

F

F

I

I

L

L

D

S

H

D

S

S

E

G

T

S

K

K

L

V

I

I

V

Y

D

G

R

A

E

P

L

S

S

A

P

P

V

V

A

I

K

D

A

A

A

I

L

R

A

A

R

Q

T

A

E

D

R

P

P

P

I

G

T

T

L

V

V

T

E

D

I

W

A

-

D

-

E

-

Q

-

A

-

P

-

D

-

A

-

P

-

S

-

L

I

G

G

A

A

V

D

E

S

Y

L

E

A

D

E

F

R

L

L

-

R

-

S

-

A

A

A

A

D

D

E

P

P

A

A

P

V

W

E

H

C

G

G

P

G

D

D

E

N

W

-

Q

-

A

-

I

L

A

F

L

I

N

M

Y

Y

T

T

S

S

G

G

T

T

G

G

N

H

P

P

K
|
K

G

G

V

V

Y

H

H

T

H

H

R

E

G

S

A

V

Y

H

L

S

N

A

A

A

L

S

G

S

N

W

A

A

F

S

T

T

L

I

N

D

V

V

R
|
R

P

Y

E
x
R

S

D

V

R

F

L

L

L

W

L

T

P

L

L

P

P

M

M

F

F

H

H

C
x
V

N

A

G
x
A

W

L

T

T

Y
x
T

S

V

W

I

A

F

V

S

T

A

A

M

A

R

G

G

G

V

T

T

H

L

V

I

C

S

L

M

R

P

R

Q

V

F

E

D

P

A

A

T

A

K

I

V

F

W

D

S

A

L

I

I

A

V

E

E

L

E

G
x
R

V

V

T

C

H

I

L

G

C

G

G

A

A

V

P

P

I

A

V

I

L

L

N

N

M

F

L

M

I

R

H

Q

A

V

P

P

A

E

A

F

V

A

R

E

R

L

P

D

A

A

P

P

R

D

R

F

V

R

I

Y

V

F

G

I

T

T

G

G

A

A

A

P

P

M

P

P

S

E

A

A

V

L

L

I

A

K

G

I

M

Y

A

A

T

A

L

K

G

N

F

I

E

E

V

V

H

Q

M

G

Y

Y

G
x
A

L

L

T

T

E

E

C

S

Y

C

G

G

P

G

A

G

T

T

V

L

C

L

A

L

P

S

Q

E

D

D

G

A

W

L

E

R

D

K

L

A

D

G

A

S

D

A

G

G

L

R

A

A

L

T

Q

M

F

F

A

-

R

-

Q

-

G

-

V

-

N

T

H

D

V

V

A

A

V

V

E

R

D

G

A

D

T

D

V

G

L

V

D

I

R

R

E

E

T

H

G

G

R

E

P

-

V

-

P

-

A

-

D

-

A

-

Q

-

T

-

I

-

G

G

E

E

I

V

A

V

L

I

R

K

G

S

N

D

T

I

V

L

M

L

K

K

G

E

Y

Y

L

W

K

N

N

R

P

P

A

E

A

A

T

T

K

R

E

D

A

A

L

F

K

D

D

N

G

G

W
|
W

F

F

R

R

T

T

G

G

D
|
D

L

I

G

G

V

E

L

I

H

D

P

D

D

E

G

G

Y

Y

I

L

E

Y

V

I

K

K

D

D

R
|
R

S

L

K

K

D

D

I

M

I

I

S
|
S

G

G

G
|
G

E

E

N

N

I

V

S

Y

S

P

L

A

E

E

V

I

E

E

E

S

A

V

L

I

Y

I

R

G

H

V

P

P

A

G

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

L

P

P

D

D

D

E

R

K

W

W

G

G

E

E

S

I

P

A

C

A

A

A

F

I

V

V

T

V

V

A

K

D

P

-

G

-

A

Q

E

N

R

E

P

V

S

S

E

E

S

Q

D

Q

I

I

I

V

Q

E

W

Y

C

C

R

G

D

T

R

R

I

L

A

A

H

R

Y

Y

K

K

V

L

P

P

R

K

T

K

V

V

V

I

F

F

S

A

D

E

-

A

L

I

P

P

K

R

T

N

S

P

T

T

G

G

K
|
K

I

I

Q

L

K

K

T

T

V

V

L

L

R

R

D

E

K172 (= K204) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Slight increase of susceptibility to proteolysis.
R195 (= R227) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-197 and A-244.
R197 (≠ E229) mutation to A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-195 and A-244.
V209 (≠ C241) mutation to D: Strong reduction of the fatty acyl-CoA ligase activity. No significant change in the total expression level, however the cytoplasmic expression is reduced. Slight increase of susceptibility to proteolysis.
A211 (≠ G243) mutation to G: Slight increase of the fatty acyl-CoA ligase activity. Reduced rate of proteolytic degradation.
T214 (≠ Y246) mutation to W: Shows a marked decrease in the activity with lauric and palmitic acid (C12 and C16 fatty acid) with a simultaneous increase in the activity with caprylic acid (C8 fatty acid).
R244 (≠ G276) mutation to A: Alteration of the strength of the membrane binding; when associated with A-17; A-195; A-195 and A-197.
A302 (≠ G334) mutation to G: Slight increase of the fatty acyl-CoA ligase activity. Reduced rate of proteolytic degradation.; mutation to W: Does not show activity with small, medium or long acyl chains.
W377 (= W423) mutation to A: Strong reduction of the fatty acyl-CoA ligase activity. Enhanced affinity towards palmitic acid binding. No significant change in the total expression level, however the cytoplasmic expression is low. Slight increase of susceptibility to proteolysis.
D382 (= D428) mutation to A: Strong reduction of the fatty acyl-CoA ligase activity. No significant change in the total expression level, however the cytoplasmic expression is reduced.
R397 (= R443) mutation to A: Reduction of binding affinity for fatty acids.
S404 (= S450) mutation to A: Slight reduction of the fatty acyl-CoA ligase activity. Enhanced affinity towards palmitic acid binding.
G406 (= G452) mutation to L: No effect on the formation of acyl-adenylate intermediate. However, it shows very poor catalytic efficiency to form acyl-CoA.
K487 (= K534) mutation to A: Strong reduction of the fatty acyl-CoA ligase activity. Reduction of binding affinity for ATP.

Sites not aligning to the query:

9 R→A: Alteration of the strength of the membrane binding; when associated with A-9; A-195; A-197 and A-244.
17 R→A: Alteration of the strength of the membrane binding; when associated with A-9; A-17; A-197 and A-244.

3r44A Mycobacterium tuberculosis fatty acyl coa synthetase (see paper)
34% identity, 88% coverage: 52:542/556 of query aligns to 33:495/502 of 3r44A

query
sites
3r44A

I

M

T

T

Y

Y

A

A

Q

Q

F

M

H

N

D

A

R

L

V

A

R

N

R

R

F

C

A

A

G

D

A

V

L

L

L

T

R

A

A

L

G

G

V

I

R

A

R

K

G

G

D

D

T

R

V

V

S

A

V

L

L

L

A

M

P

P

N

N

V

S

P

V

A

E

L

F

L

C

E

C

A

L

H

F

Y

Y

A

G

V

A

P

A

L

K

A

L

G

G

A

A

V

V

L

A

N

V

A

P

L

I

N

N

T

T

R

R

L

L

D

A

A

A

A

P

A

E

I

V

A

S

F

F

I

I

L

L

D

S

H

D

S

S

E

G

T

S

K

K

L

V

I

I

V

Y

D

G

R

A

E

P

L

S

S

A

P

P

V

V

A

I

K

D

A

A

A

I

L

R

A

A

R

Q

T

A

E

D

R

P

P

P

I

G

T

T

L

V

V

T

E

D

I

W

A

-

D

-

E

-

Q

-

A

-

P

-

D

-

A

-

P

-

S

-

L

I

G

G

A

A

V

D

E

S

Y

L

E

A

D

E

F

R

L

L

-

R

-

S

-

A

A

A

A

D

D

E

P

P

A

A

P

V

W

E

H

C

G

G

P

G

D

D

E

N

W

-

Q

-

A

-

I

L

A

F

L

I

N

M

Y

Y

T
|
T

S

S

G

G

T

-

G

-

N

H

P

P

K

K

G

G

V

V

Y

H

H

T

H

H

R
x
E

G

S

A

V

Y
x
H

L

S

N
x
A

A

A

L

S

G

S

N

W

A

A

F

S

T

T

L

I

N

D

V

V

R

R

P

Y

E

R

S

D

V

R

F

L

L

L

W

L

T

P

L

L

P

P

M

M

F

F

H
|
H

C

V

N

A

G

A

W

L

T

T

Y

T

S

V

W

I

A

F

V

S

T

A

A

M

A

R

G

G

G

V

T

T

H

L

V

I

C

S

L

M

R

P

R

Q

V

F

E

D

P

A

A

T

A

K

I

V

F

W

D

S

A

L

I

I

A

V

E

E

L

E

G

R

V

V

T

C

H

I

L

G

C

G

G

A

A

V

P

P

I

A

V

I

L

L

N

N

M

F

L

M

I

R

H

Q

A

V

P

P

A

E

A

F

V

A

R

E

R

L

P

D

A

A

P

P

R

D

R

F

V

R

I

Y

V

F

G

I

T

T

G

G

A

A

A

P

P

M

P

P

S

E

A

A

V

L

L

I

A

K

G

I

M

Y

A

A

T

A

L

K

G

N

F

I

E

E

V

V

H

Q

M

G

Y

Y

G

A

L

L

T
|
T

E
|
E

C

S

Y

C

G

G

P

G

A

G

T

T

V

L

C

L

A

L

P

S

Q

E

D

D

G

A

W

L

E

R

D

K

L

A

D

G

A

S

D

A

G

G

L

R

A

A

L

T

Q

M

F

F

A

-

R

-

Q

-

G

-

V

-

N

T

H

D

V

V

A

A

V

V

E

R

D

G

A

D

T

D

V

G

L

V

D

I

R

R

E

E

T

H

G

G

R

E

P

-

V

-

P

-

A

-

D

-

A

-

Q

-

T

-

I

-

G

G

E

E

I

V

A

V

L

I

R

K

G

S

N

D

T

I

V

L

M

L

K

K

G

E

Y

Y

L

W

K

N

N

R

P

P

A

E

A

A

T

T

K

R

E

D

A

A

L

F

K

D

D

N

G

G

W

W

F

F

R

R

T

T

G

G

D

D

L

I

G

G

V

E

L

I

H

D

P

D

D

E

G

G

Y

Y

I

L

E

Y

V

I

K

K

D

D

R

R

S

L

K

K

D

D

I

M

I

I

I
|
I

S

S

G

G

E

E

N
|
N

I

V

S

Y

S

P

L

A

E

E

V

I

E

E

E

S

A

V

L

I

Y

I

R

G

H

V

P

P

A

G

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

L

P

P

D

D

D

E

R

K

W

W

G

G

E

E

S

I

P

A

C

A

A

A

F

I

V

V

T

V

V

A

K

D

P

-

G

-

A

Q

E

N

R

E

P

V

S

S

E

E

S

Q

D

Q

I

I

I

V

Q

E

W

Y

C

C

R

G

D

T

R

R

I

L

A

A

H

R

Y

Y

K

K

V

L

P

P

R

K

T

K

V

V

V

I

F

F

S

A

D

E

-

A

L

I

P

P

K

R

T

N

S

P

T

T

G

G

K
|
K

I

I

Q

L

K

K

T

T

V

V

L

L

R

R

D

E

active site: T167 (= T196), A184 (≠ N216), H208 (= H240), T304 (= T336), E305 (= E337), I403 (= I449), N408 (= N454), K487 (= K534)
binding histidine: E179 (≠ R211), H182 (≠ Y214)

Sites not aligning to the query:

binding histidine: 5

1v26B Crystal structure of tt0168 from thermus thermophilus hb8 (see paper)
36% identity, 92% coverage: 26:536/556 of query aligns to 11:502/510 of 1v26B

query
sites
1v26B

L

L

S

N

P

L

L

W

S

D

F

F

L

L

K

E

R

R

A

A

K

A

V

L

Y

F

P

G

D

R

K

K

P

E

A

V

I

V

R

S

-

R

-

L

-

H

-

T

-

G

H

E

G

V

R

H

R

R

T

T

I

-

T

T

Y

Y

A

A

Q

E

F

V

H

Y

D

Q

R

R

V

A

R

R

F

L

A

M

G

G

A

G

L

L

L

R

R

A

A

L

G

G

V

V

R

G

R

V

G

G

D

D

T

R

V

V

S

A

V

T

L

L

A

G

P

F

N

N

V

H

P

F

A

R

L

H

L

L

E

E

A

A

H

Y

Y

F

A

A

V

V

P

P

L

G

A

M

G

G

A

A

V

V

L

L

N

H

A

T

L

A

N

N

T

P

R

R

L

L

D

S

A

P

A

K

A

E

I

I

A

A

F

Y

I

I

L

L

D

N

H

H

S

A

E

E

T

D

K

K

L

V

L

L

I

L

V

F

D

D

R

P

E

N

L

L

S

L

P

P

V

L

A

V

K

E

A

A

A

I

L

R

A

G

R

E

T

L

E

K

R

T

P

V

I

Q

T

H

L

F

V

V

E

-

I

V

A

M

D

D

E

E

Q

K

A

A

P

P

D

E

A

-

P

-

S

-

L

-

G

G

A

Y

V

L

E

A

Y

Y

E

E

D

E

F

A

L

L

A

G

-

E

A

E

A

A

D

D

P

P

A

V

P

-

W

-

H

-

G

-

P

R

D

V

D

P

E

E

W

R

Q

A

A

A

I

C

A

G

L

M

N

A

Y

Y

T
|
T

S

T

G

G

T

T

G

G

N

L

P

P

K

K

G

G

V

V

Y

Y

H

S

H

H

R

R

G

A

A

L

Y

V

L

L

N
x
H

A

S

L

L

G

A

N

A

A

S

F

L

T

V

-

D

-

G

L

T

N

A

V

L

R

S

P

E

E

K

S

D

V

V

F

V

L

L

W

P

T

V

L

V

P

P

M

M

F

F

H
|
H

C

V

N

N

G

A

W

W

T

C

Y

L

S

P

W

Y

A

A

V

A

T

T

A

L

A

V

G

G

G

A

T

K

H

Q

V

V

C

L

L

P

R

G

-

P

R

R

V

L

E

D

P

P

A

A

A

S

I

L

F

V

D

E

A

L

I

F

A

D

E

G

L

E

G

G

V

V

T

T

H

F

L

T

C

A

G

G

A

V

P

P

I

T

V

V

L

W

N

L

M

A

L

L

I

A

H

D

A

Y

P

L

A

E

A

S

V

T

-

G

-

H

R

R

R

L

P

K

A

T

P

L

R

R

V

L

I

V

V

V

G

-

T

-

G

G

G
|
G

A
x
S

A
|
A

P

A

P

P

S

R

A

S

V

L

L

I

A

A

G

R

M

F

A

E

T

R

L

M

G

G

F

V

E

E

V

V

V

R

H

Q

M
x
G

Y
|
Y

G
|
G

L
|
L

T
|
T

E
|
E

C

T

Y

S

G

P

P

V

A

V

T

V

V

Q

C

N

A

F

P

V

Q

K

D

S

G

H

W

L

E

E

D

S

L

L

D

S

A

E

D

E

G

E

L

K

A

L

L

T

Q

L

F

K

A

A

R

K

Q

T

G

G

V

L

N

P

H

-

V

I

A

P

V

L

E

V

D

R

A

L

T

R

V

V

L

A

D

D

R

E

E

E

T

-

G

G

R

R

P

P

V

V

P

P

A

K

D

D

A

G

Q

K

T

A

I

L

G

G

E

E

I

V

A

Q

L

L

R

K

G

G

N

P

T

W

V

I

M

T

K

G

G

G

Y

Y

L

Y

K

G

N

N

P

E

A

E

A

A

T

T

K

R

E

S

A

A

L

L

K

T

-

P

D

D

G

G

W

F

F

F

R

R

T

T

G

G

D
|
D

L

I

G

A

V

V

L

W

H

D

P

E

D

E

G

G

Y

Y

I

V

E

E

V

I

K

K

D

D

R

R

S

L

K
|
K

D

D

I

L

I

I

I
x
K

S

S

G

G

E

E

N
x
W

I

I

S

S

L

V

E

D

V

L

E

E

E

N

A

A

L

-

Y

-

R

-

H

-

P

-

A

-

V

-

L

-

E

-

A

A

V

V

A

A

R

I

P

P

D

H

D

P

R

K

W

W

G

Q

E

E

S

R

P

P

C

L

A

A

F

-

V

V

T

T

V

P

K

E

P

E

G

L

A

N

E

E

R

H

P

L

S

L

E

K

S

A

D

G

I

F

I

A

Q

K

W

W

C

-

R

-

D

-

R

-

I

-

A

-

H

-

Y

-

K

Q

V

L

P

P

R

D

T

A

V

Y

V

V

F

F

S

A

-

E

D

E

L

I

P

P

K

R

T

T

S

R

T

A

G

L

K

R

I

E

Q

Q

active site: T177 (= T196), H197 (≠ N216), H223 (= H240), T320 (= T336), E321 (= E337), K432 (≠ I449), W437 (≠ N454)
binding adenosine monophosphate: G295 (= G311), S296 (≠ A312), A297 (= A313), G316 (≠ M332), Y317 (= Y333), G318 (= G334), L319 (= L335), T320 (= T336), D411 (= D428), K428 (= K445), K432 (≠ I449), W437 (≠ N454)
binding magnesium ion: T177 (= T196), E321 (= E337)

1v25A Crystal structure of tt0168 from thermus thermophilus hb8 (see paper)
37% identity, 84% coverage: 26:491/556 of query aligns to 11:464/491 of 1v25A

query
sites
1v25A

L

L

S

N

P

L

L

W

S

D

F

F

L

L

K

E

R

R

A

A

K

A

V

L

Y

F

P

G

D

R

K

K

P

E

A

V

I

V

R

S

-

R

-

L

-

H

-

T

-

G

H

E

G

V

R

H

R

R

T

T

I

-

T

T

Y

Y

A

A

Q

E

F

V

H

Y

D

Q

R

R

V

A

R

R

F

L

A

M

G

G

A

G

L

L

L

R

R

A

A

L

G

G

V

V

R

G

R

V

G

G

D

D

T

R

V

V

S

A

V

T

L

L

A

G

P

F

N

N

V

H

P

F

A

R

L

H

L

L

E

E

A

A

H

Y

Y

F

A

A

V

V

P

P

L

G

A

M

G

G

A

A

V

V

L

L

N

H

A

T

L

A

N

N

T

P

R

R

L

L

D

S

A

P

A

K

A

E

I

I

A

A

F

Y

I

I

L

L

D

N

H

H

S

A

E

E

T

D

K

K

L

V

L

L

I

L

V

F

D

D

R

P

E

N

L

L

S

L

P

P

V

L

A

V

K

E

A

A

A

I

L

R

A

G

R

E

T

L

E

K

R

T

P

V

I

Q

T

H

L

F

V

V

E

-

I

V

A

M

D

D

E

E

Q

K

A

A

P

P

D

E

A

-

P

-

S

-

L

-

G

G

A

Y

V

L

E

A

Y

Y

E

E

D

E

F

A

L

L

A

G

-

E

A

E

A

A

D

D

P

P

A

V

P

-

W

-

H

-

G

-

P

R

D

V

D

P

E

E

W

R

Q

A

A

A

I

C

A

G

L

M

N

A

Y

Y

T
|
T

S

T

G

G

T

T

G

G

N

L

P

P

K

K

G

G

V

V

Y

Y

H

S

H

H

R

R

G

A

A

L

Y

V

L

L

N
x
H

A

S

L

L

G

A

N

A

A

S

F

L

T

V

-

D

-

G

L

T

N

A

V

L

R

S

P

E

E

K

S

D

V

V

F

V

L

L

W

P

T

V

L

V

P

P

M

M

F

F

H
|
H

C
x
V

N

N

G

A

W

W

T

C

Y

L

S

P

W

Y

A

A

V

A

T

T

A

L

A

V

G

G

G

A

T

K

H

Q

V

V

C

L

L

P

R

G

-

P

R

R

V

L

E

D

P

P

A

A

A

S

I

L

F

V

D

E

A

L

I

F

A

D

E

G

L

E

G

G

V

V

T

T

H

F

L

T

C

A

G

G

A

V

P

P

I

T

V

V

L

W

N

L

M

A

L

L

I

A

H

D

A

Y

P

L

A

E

A

S

V

T

-

G

-

H

R

R

R

L

P

K

A

T

P

L

R

R

V

L

I

V

V

V

G

-

T

-

G

G

G
|
G

A
x
S

A
|
A

P

A

P

P

S

R

A

S

V

L

L

I

A

A

G

R

M

F

A

E

T

R

L

M

G

G

F

V

E

E

V

V

V

R

H

Q

M

G

Y
|
Y

G
|
G

L
|
L

T
|
T

E
|
E

C

T

Y

S

G

P

P

V

A

V

T

V

V

Q

C

N

A

F

P

V

Q

K

D

S

G

H

W

L

E

E

D

S

L

L

D

S

A

E

D

E

G

E

L

K

A

L

L

T

Q

L

F

K

A

A

R

K

Q

T

G

G

V

L

N

P

H

-

V

I

A

P

V

L

E

V

D

R

A

L

T

R

V

V

L

A

D

D

R

E

E

E

T

-

G

G

R

R

P

P

V

V

P

P

A

K

D

D

A

G

Q

K

T

A

I

L

G

G

E

E

I

V

A

Q

L

L

R

K

G

G

N

P

T

W

V

I

M

T

K

G

G

G

Y

Y

L

Y

K

G

N

N

P

E

A

E

A

A

T

T

K

R

E

S

A

A

L

L

K

T

-

P

D

D

G

G

W

F

F

F

R

R

T

T

G

G

D
|
D

L

I

G

A

V

V

L

W

H

D

P

E

D

E

G

G

Y

Y

I

V

E

E

V
x
I

K

K

D

D

R

R

S

L

K

K

D

D

I

L

I

I

I
x
K

S

S

G

G

E

E

N
x
W

I

I

S

S

L

V

E

D

V

L

E

E

E

-

A

-

L

-

Y

-

R

-

H

-

P

-

A

-

V

-

L

-

E

N

A

A

V

V

A

A

R

I

P

P

D

H

D

P

R

K

W

W

G

Q

E

E

S

R

P

P

C

L

A

A

F

V

V

V

active site: T177 (= T196), H197 (≠ N216), H223 (= H240), T320 (= T336), E321 (= E337), K432 (≠ I449), W437 (≠ N454)
binding phosphoaminophosphonic acid-adenylate ester: H223 (= H240), V224 (≠ C241), G295 (= G311), S296 (≠ A312), A297 (= A313), Y317 (= Y333), G318 (= G334), L319 (= L335), T320 (= T336), D411 (= D428), I423 (≠ V440), K432 (≠ I449), W437 (≠ N454)
binding magnesium ion: T177 (= T196), E321 (= E337)

8i3iA Acyl-acp synthetase structure bound to amp-pnp in the presence of mgcl2 (see paper)
30% identity, 94% coverage: 19:541/556 of query aligns to 4:518/522 of 8i3iA

query
sites
8i3iA

D

D

P

P

A

S

N

N

H

Y

V

Q

P

L

L

L

-

I

-

K

-

N

-

L

-

F

S

S

P

P

L

V

S

A

F

F

L

-

K

-

R

-

A

-

K

-

V

-

Y

N

P

P

D

E

K

Q

P

E

A

I

I

V

R

Y

H

A

G

N

R

H

R

R

T

R

I

H

T

S

Y

Y

A

K

Q

T

F

F

H

H

D

D

R

R

V

V

R

R

R

Q

F

F

A

A

G

N

A

A

L

L

L

T

R

K

A

M

G

G

V

V

R

K

G

G

D

D

T

T

V

V

S

A

V

V

L

M

A

D

P

Y

N

D

V

S

P

H

A

R

L

Y

L

L

E

E

A

C

H

Y

Y

F

A

A

V

I

P

P

L

M

A

I

G

G

A

A

V

K

L

L

N

H

A

M

L

I

N

N

T

V

R

R

L

L

D

S

A

P

A

E

A

Q

I

I

A

L

F

Y

I

T

L

I

D

D

H

H

S

A

E

E

T

D

K

D

L

I

I

L

V

I

D

H

R

E

E

E

L

F

S

L

P

P

V

I

A

L

K

D

A

Q

A

I

L

K

A

G

R

R

T

I

E

D

R

T

P

V

I

T

T

R

L

Y

V

V

E

V

I

L

A

R

D

D

E

D

Q

E

A

E

P

-

D

-

A

-

P

-

S

-

L

-

G

-

A

-

V

C

E

E

Y

Y

E

E

D

R

F

L

L

L

A

E

A

Q

A

-

D

E

P

S

A

T

P

E

W

Y

H

N

G

F

P

P

D

D

-

F

D

D

E

E

W

N

Q

T

A

V

I

A

A

T

L

T

N

F

Y

Y

T
|
T

S

T

G
|
G

T
|
T

G

G

N

F

P

P

K
|
K

G

G

V

V

V

F

Y

F

H

T

H

H

R

R

G

Q

A

L

Y

V

L

L

N

H

A

T

L

M

G

G

-

I

-

L

-

S

-

T

-

I

-

G

-

T

N

N

A

A

F

S

T

Q

L

G

N

R

V

L

R

H

P

Q

E

G

S

D

V

I

F

Y

L

M

W

P

T

I

L

T

P

P

M

M

F

F

H

H

C

V

N

H

G

A

W

W

T

G

Y

L

S

P

W

Y

A

M

V

A

T

T

A

M

A

L

G

G

G

V

T

K

H

Q

V

V

C

Y

L

P

R

G

R

K

V

Y

E

V

P

P

A

D

A

V

I

L

F

L

D

N

A

L

I

I

A

E

E

Q

L

E

G

K

V

V

T

T

H

F

L

S

C

H

G

C

A

V

P

P

I

T

V

I

L

L

N

H

M

L

L

L

I

L

H

S

A

S

P

P

A

K

A

S

V

K

R

A

R

M

P

D

A

F

P

S

R

G

R

W

V

K

I

V

V

V

G

-

T

I

G

G

G
|
G

A
|
A

P

L

P

P

S

K

A

A

V

L

L

C

A

K

G

S

M

A

A

L

T

E

L

R

G

D

F

I

E

D

V

V

V

F

H

A

M

G

Y
|
Y

G

G

L
x
M

T
x
S

E

E

C

T

Y

G

G

P

P

I

A

L

T

S

V

I

C

V

A

Q

P

L

Q

T

D

P

G

E

W

Q

E

L

D

E

L

L

D

D

A

V

D

D

G

Q

L

Q

A

A

L

E

Q

Y

F

R

A

S

R

K

Q

T

G

G

V

-

N

K

H

K

V

V

A

A

V

L

E

V

D

E

A

A

T

Y

V

I

L

V

D

D

R

E

E

D

T

M

G

N

R

K

P

-

V

L

P

P

A

H

D

D

A

G

Q

E

T

T

I

A

G

G

E

E

I

I

A

V

L

V

R

R

G

A

N

P

T

W

V

L

M

T

K

P

G

N

Y

Y

L

Y

K

K

N

D

P

N

A

K

A

N

T

S

K

K

E

A

A

L

L

W

K

R

D

G

G

G

W

Y

F

L

R

H

T

T

G

G

D
|
D

L

V

G

A

V

H

L

I

H

D

P

D

D

E

G

G

Y

F

I

I

E

K

V

I

K

T

D

D

R
|
R

S

V

K

K

D

D

I

M

I

I

I

K

S

I

G

S

G

G

E

E

N

W

I

V

S

S

L

L

E

E

V

L

E

E

E

D

A

I

L

L

Y

H

R

Q

H

H

P

Q

A

S

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

M

P

P

D

H

D

N

R

K

W

W

G

G

E

E

S

V

P

P

C

L

A

A

F

L

V

V

T

T

V

L

K

K

P

E

G

D

A

A

E

Q

R

-

P

V

S

T

E

E

S

K

D

E

I

L

Q

G

W

F

C

A

R

K

D

D

R

R

I

E

A

A

H

-

Y

-

K

L

V

L

P

L

R

K

T

V

V

K

V

I

F

V

S

D

D

E

L

I

P

A

K

K

T

T

S

S

T

V

G

G

K

K

I

V

Q

D

K

K

T

K

V

E

L

L

R

R

binding phosphoaminophosphonic acid-adenylate ester: T172 (= T196), G174 (= G198), T175 (= T199), T176 (= T200), K180 (= K204), G293 (= G311), A294 (= A312), A295 (= A313), Y315 (= Y333), M317 (≠ L335), S318 (≠ T336), D408 (= D428), R423 (= R443)

P0DX84 3-methylmercaptopropionyl-CoA ligase; MMPA-CoA ligase; EC 6.2.1.44 from Ruegeria lacuscaerulensis (strain DSM 11314 / KCTC 2953 / ITI-1157) (Silicibacter lacuscaerulensis) (see paper)
33% identity, 87% coverage: 62:546/556 of query aligns to 50:535/539 of P0DX84

query
sites
P0DX84

R

R

F

M

A

G

G

S

A

A

L

L

L

T

R

K

A

L

G

G

V

L

R

Q

R

P

G

Q

D

D

T

R

V

I

S

G

V

T

L

L

A

A

P

W

N

N

V

N

P

R

A

R

L

H

L

L

E

E

A

I

H

Y

Y

Y

A

A

V

A

P

S

L

G

A

A

G

G

A

F

V

V

L

C

N

H

A

T

L

I

N

N

T

P

R

R

L

L

D

F

A

P

A

E

A

Q

I

L

A

V

F

Y

I

I

L

I

D

N

H

H

S

A

E

Q

T

D

K

R

L

V

L

L

I

F

V

F

D

D

R

A

E

T

L

F

S

L

P

P

V

L

A

V

K

A

A

A

A

I

L

R

A

D

R

Q

T

L

E

T

R

E

P

V

I

K

T

H

L

F

V

V

E

L

I

M

A

G

D

P

E

R

Q

N

A

E

P

D

D

A

A

L

P

Q

S

Q

L

I

G

P

A

G

V

L

E

E

Y

F

E

Y

D

D

F

E

L

L

A

I

A

E

A

T

D

G

P

D

A

T

P

D

W

F

H

E

G

W

P

P

-

V

D

F

D

D

E

E

W

N

Q

T

A

A

I

S

A

S

L

L

N

C

Y

Y

T

T

S

S

G

G

T

T

G

G

N

H

P

P

K

K

G

G

V

V

V

L

Y

Y

H

S

H

H

R

R

G

S

A

T

Y

V

L

L

N

H

A

S

L

F

G

A

N

S

A

N

F

T

-

R

-

D

T

V

L

I

N

G

V

Y

R

S

P

A

E

M

S

D

V

V

F

V

L

M

W

P

T

V

L

V

P

P

M

M

F

F

H
|
H

C

V

N

N

G

A

W
|
W

T

G

Y

S

S

P

W

Y

A

G

V

C

T

A

A

M

A

S

G

G

G

A

T

Q

H

M

V

V

C

L

L

P

R

G

-

P

R

D

V

L

E

H

P

G

A

E

A

A

I

L

F

V

D

N

A

L

I

I

A

D

E

T

L

Y

G

G

V

V

T

T

H

L

L

A

C

M

G

G

A

V

P

P

I

T

V

I

L

W

N

Q

-

G

M

L

L

L

I

A

H

H

A

A

-

A

P

K

A

C

A

G

V

T

R

K

R

L

P

E

A

S

P

L

R

E

R

R

V

T

I

V

V

I

G
|
G

T

-

G
|
G

G

A

A

A

A

C

P

P

S

S

A

M

V

I

L

A

A

T

G

F

M

R

A

E

T

K

L

Y

G

G

F

V

E

D

V

T

V

V

H

H

M

A

Y
x
W

G

G

L

M

T

S

E

E

C

M

Y

S

G
x
P

P

L

A

G

T

T

V

A

C

N

A

I

P

P

Q

L

D

A

G

K

W

H

E

R

D

K

L

L

D

P

A

I

D

E

G

E

L

Q

A

H

L

K

Q

L

F

R

A

E

R

N

Q

Q

G

G

V

R

N

P

H

P

V

F

A

G

V

V

E

E

D

L

A

K

T

I

V

V

L

D

D

D

R

-

E

-

T

D

G

G

R

N

P

D

V

L

P

P

A

H

D

D

A

G

Q

V

T

T

I

Q

G

G

E

D

I

L

A

M

L

V

R

R

G

G

N

H

T

W

V

V

M

L

K

D

G

S

Y

Y

L

F

K

Q

N

-

P

-

A

L

A

K

T

D

K

Q

E

E

A

L

L

L

K

Q

D

D

G

G

W

W

F

F

R

A

T

T

G

G

D

D

L

V

G

A

V

T

L

L

H

D

P

P

D

D

G

G

Y

Y

I

M

E

T

V

I

K

R

D

D

R
|
R

S

S

K
|
K

D
|
D

I

I

I
x
K

S

S

G
|
G

E
|
E

N
x
W

I

I

S

S

L

V

E

E

V

L

E

E

E

N

A

I

L

A

Y

V

R

A

H

H

P

P

A

K

V

L

L

A

E

T

A

A

V

V

V

I

A

G

R

V

P

P

D

H

D

P

R

K

W

W

G

D

E
|
E

S

R

P

P

C

L

A

-

F

L

V

V

T

A

V

V

K

K

P

A

G

E

A

G

E

E

R

D

P

P

S

S

E

E

S

A

D

E

I

L

Q

E

W

F

C

F

R

D

D

G

R

K

I

I

A

A

H

K

Y

W

K

Q

V

V

P

P

R

D

T

K

V

V

F

F

S

V

D

D

-

A

L

L

P

P

K

L

T

N

S

A

T

T

G

G

K
|
K

I

V

Q

L

K
|
K

T

R

V

K

L

L

R

R

D

D

A

E

A

F

R

K

E

D

H231 (= H240) mutation to A: Retains 74% of wild-type activity.
W235 (= W244) mutation to A: Almost completely abolishes the activity.
G302 (= G308) mutation to P: Almost completely abolishes the activity.
G303 (= G310) mutation to P: Almost completely abolishes the activity.
W326 (≠ Y333) mutation to A: Retains 7.7% of wild-type activity.
P333 (≠ G340) mutation to A: Retains 69% of wild-type activity.
R432 (= R443) mutation to A: Retains 4.3% of wild-type activity.
K434 (= K445) mutation to A: Retains 36% of wild-type activity.
D435 (= D446) mutation to A: Retains 76% of wild-type activity.
K438 (≠ I449) mutation to A: Retains 5.6% of wild-type activity.
G440 (= G451) mutation to P: Retains 3.6% of wild-type activity.
G441 (= G452) mutation to P: Retains 2.7% of wild-type activity.
E442 (= E453) mutation to A: Retains 27% of wild-type activity.
W443 (≠ N454) mutation to A: Retains 60% of wild-type activity.
E474 (= E485) mutation to A: Retains 33% of wild-type activity.
K523 (= K534) Plays an important role in catalysis; mutation to A: Retains 1.6% of wild-type activity.; mutation to E: Retains 1.4% of wild-type activity.; mutation to R: Retains 57% of wild-type activity.
K526 (= K537) mutation to A: Retains 48% of wild-type activity.

8i6mA Acyl-acp synthetase structure bound to amp-c18:1 (see paper)
30% identity, 94% coverage: 19:541/556 of query aligns to 2:524/528 of 8i6mA

query
sites
8i6mA

D

D

P

P

A

S

N

N

H

Y

V

Q

P

L

L

L

-

I

-

K

-

N

-

L

-

F

S

S

P

P

L

V

S

A

F

F

L

-

K

-

R

-

A

-

K

-

V

-

Y

N

P

P

D

E

K

Q

P

E

A

I

I

V

R

Y

H

A

G

N

R

H

R

R

T

R

I

H

T

S

Y

Y

A

K

Q

T

F

F

H

H

D

D

R

R

V

V

R

R

R

Q

F

F

A

A

G

N

A

A

L

L

L

T

R

K

A

M

G

G

V

V

R

K

G

G

D

D

T

T

V

V

S

A

V

V

L

M

A

D

P

Y

N

D

V

S

P

H

A

R

L

Y

L

L

E

E

A

C

H

Y

Y

F

A

A

V

I

P

P

L

M

A

I

G

G

A

A

V

K

L

L

N

H

A

M

L

I

N

N

T

V

R

R

L

L

D

S

A

P

A

E

A

Q

I

I

A

L

F

Y

I

T

L

I

D

D

H

H

S

A

E

E

T

D

K

D

L

I

I

L

V

I

D

H

R

E

E

E

L

F

S

L

P

P

V

I

A

L

K

D

A

Q

A

I

L

K

A

G

R

R

T

I

E

D

R

T

P

V

I

T

T

R

L

Y

V

V

E

V

I

L

A

R

D

D

E

D

Q

E

A

E

P

-

D

-

A

-

P

-

S

-

L

-

G

-

A

-

V

C

E

E

Y

Y

E

E

D

R

F

L

L

L

A

E

A

Q

A

-

D

E

P

S

A

T

P

E

W

Y

H

N

G

F

P

P

D

D

-

F

D

D

E

E

W

N

Q

T

A

V

I

A

A

T

L

T

N

F

Y

Y

T

T

S

T

G

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

V

F

Y

F

H

T

H

H

R

R

G

Q

A

L

Y

V

L

L

N

H

A

T

L

M

G

G

-

I

-

L

-

S

-

T

-

I

-

G

-

T

N

N

A

A

F

S

T

Q

L

G

N

R

V

L

R

H

P

Q

E

G

S

D

V

I

F

Y

L

M

W

P

T

I

L

T

P

P

M

M

F

F

H

H

C

V

N

H

G

A

W

W

T

G

Y

L

S

P

W

Y

A

M

V

A

T

T

A

M

A

L

G

G

G

V

T

K

H

Q

V

V

C

Y

L

P

R

G

R

K

V

Y

E

V

P

P

A

D

A

V

I

L

F

L

D

N

A

L

I

I

A

E

E

Q

L

E

G

K

V

V

T

T

H

F

L

S

C

H

G

C

A

V

P

P

I

T

V

I

L

L

N

H

M

L

L

L

I

L

H

S

A

S

P

P

A

K

A

S

V

K

R

A

R

M

P

D

A

F

P

S

R

G

R

W

V

K

I

V

V

V

G

-

T

I

G

G

G
|
G

A

A

A
|
A

P

L

P

P

S

K

A

A

V

L

L

C

A

K

G

S

M

A

A

L

T

E

L

R

G

D

F

I

E

D

V

V

V

F

H

A

M
x
G

Y
|
Y

G
|
G

L
x
M

T
x
S

E
|
E

C

T

Y

G

G

P

P

I

A

L

T

S

V

I

C

V

A

Q

P

L

Q

T

D

P

G

E

W

Q

E

L

D

E

L

L

D

D

A

V

D

D

G

Q

L

Q

A

A

L

E

Q

Y

F

R

A

S

R

K

Q

T

G

G

V

-

N

K

H

K

V

V

A

A

V

L

E

V

D

E

A

A

T

Y

V

I

L

V

D

D

R

E

E

D

T

M

G

N

R

K

P

-

V

L

P

P

A

H

D

D

A

G

Q

E

T

T

I

A

G

G

E

E

I

I

A

V

L

V

R

R

G

A

N

P

T

W

V

L

M

T

K

P

G

N

Y

Y

L

Y

K

K

N

D

P

N

A

K

A

N

T

S

K

K

E

A

A

L

L

W

K

R

D

G

G

G

W

Y

F

L

R

H

T

T

G

G

D
|
D

L

V

G

A

V

H

L

I

H

D

P

D

D

E

G

G

Y

F

I

I

E

K

V

I

K

T

D

D

R
|
R

S

V

K

K

D

D

I

M

I

I

I

K

S

I

G

S

G

G

E

E

N

W

I

V

S

S

L

L

E

E

V

L

E

E

E

D

A

I

L

L

Y

H

R

Q

H

H

P

Q

A

S

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

M

P

P

D

H

D

N

R

K

W

W

G

G

E

E

S

V

P

P

C

L

A

A

F

L

V

V

T

T

V

L

K

K

P

E

G

D

A

A

E

Q

R

-

P

V

S

T

E

E

S

K

D

E

I

L

Q

G

W

F

C

A

R

K

D

D

R

F

I

I

A

N

H

K

Y

G

K

I

V

L

P

A

R

R

T

E

V

A

-

L

-

K

-

V

-

K

V

I

F

V

S

D

D

E

L

I

P

A

K

K

T

T

S

S

T

V

G

G

K

K

I

V

Q

D

K

K

T

K

V

E

L

L

R

R

binding adenosine monophosphate: G291 (= G311), A293 (= A313), G312 (≠ M332), Y313 (= Y333), G314 (= G334), M315 (≠ L335), S316 (≠ T336), D406 (= D428), R421 (= R443)
binding magnesium ion: M315 (≠ L335), S316 (≠ T336), E317 (= E337)

8i51A Acyl-acp synthetase structure bound to amp-mc7 (see paper)
30% identity, 94% coverage: 19:541/556 of query aligns to 2:524/528 of 8i51A

query
sites
8i51A

D

D

P

P

A

S

N

N

H

Y

V

Q

P

L

L

L

-

I

-

K

-

N

-

L

-

F

S

S

P

P

L

V

S

A

F

F

L

-

K

-

R

-

A

-

K

-

V

-

Y

N

P

P

D

E

K

Q

P

E

A

I

I

V

R

Y

H

A

G

N

R

H

R

R

T

R

I

H

T

S

Y

Y

A

K

Q

T

F

F

H

H

D

D

R

R

V

V

R

R

R

Q

F

F

A

A

G

N

A

A

L

L

L

T

R

K

A

M

G

G

V

V

R

K

G

G

D

D

T

T

V

V

S

A

V

V

L

M

A

D

P

Y

N

D

V

S

P

H

A

R

L

Y

L

L

E

E

A

C

H

Y

Y

F

A

A

V

I

P

P

L

M

A

I

G

G

A

A

V

K

L

L

N

H

A

M

L

I

N

N

T

V

R

R

L

L

D

S

A

P

A

E

A

Q

I

I

A

L

F

Y

I

T

L

I

D

D

H

H

S

A

E

E

T

D

K

D

L

I

I

L

V

I

D

H

R

E

E

E

L

F

S

L

P

P

V

I

A

L

K

D

A

Q

A

I

L

K

A

G

R

R

T

I

E

D

R

T

P

V

I

T

T

R

L

Y

V

V

E

V

I

L

A

R

D

D

E

D

Q

E

A

E

P

-

D

-

A

-

P

-

S

-

L

-

G

-

A

-

V

C

E

E

Y

Y

E

E

D

R

F

L

L

L

A

E

A

Q

A

-

D

E

P

S

A

T

P

E

W

Y

H

N

G

F

P

P

D

D

-

F

D

D

E

E

W

N

Q

T

A

V

I

A

A

T

L

T

N

F

Y

Y

T

T

S

T

G

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

V

F

Y

F

H

T

H

H

R

R

G

Q

A

L

Y

V

L

L

N

H

A

T

L

M

G

G

-

I

-

L

-

S

-

T

-

I

-

G

-

T

N

N

A

A

F

S

T

Q

L

G

N

R

V

L

R

H

P

Q

E

G

S

D

V

I

F

Y

L

M

W

P

T

I

L

T

P

P

M

M

F

F

H

H

C

V

N

H

G

A

W
|
W

T

G

Y

L

S

P

W

Y

A

M

V

A

T

T

A

M

A

L

G

G

G

V

T

K

H

Q

V

V

C

Y

L

P

R

G

R

K

V

Y

E

V

P

P

A

D

A

V

I

L

F

L

D

N

A

L

I

I

A

E

E

Q

L

E

G

K

V

V

T

T

H

F

L

S

C

H

G

C

A

V

P

P

I

T

V

I

L

L

N

H

M

L

L

L

I

L

H

S

A

S

P

P

A

K

A

S

V

K

R

A

R

M

P

D

A

F

P

S

R

G

R

W

V

K

I

V

V

V

G

-

T

I

G
|
G

A

A

A
|
A

P

L

P

P

S

K

A

A

V

L

L

C

A

K

G

S

M

A

A

L

T

E

L

R

G

D

F

I

E

D

V

V

V

F

H

A

M
x
G

Y
|
Y

G
|
G

L
x
M

T
x
S

E

E

C

T

Y

G

G
x
P

P
x
I

A

L

T

S

V

I

C

V

A

Q

P

L

Q

T

D

P

G

E

W

Q

E

L

D

E

L

L

D

D

A

V

D

D

G

Q

L

Q

A

A

L

E

Q

Y

F

R

A

S

R

K

Q

T

G

G

V

-

N

K

H

K

V

V

A

A

V

L

E

V

D

E

A

A

T

Y

V

I

L

V

D

D

R

E

E

D

T

M

G

N

R

K

P

-

V

L

P

P

A

H

D

D

A

G

Q

E

T

T

I

A

G

G

E

E

I

I

A

V

L

V

R

R

G

A

N

P

T

W

V

L

M

T

K

P

G

N

Y

Y

L

Y

K

K

N

D

P

N

A

K

A

N

T

S

K

K

E

A

A

L

L

W

K

R

D

G

G

G

W

Y

F

L

R

H

T

T

G

G

D
|
D

L

V

G

A

V

H

L

I

H

D

P

D

D

E

G

G

Y

F

I

I

E

K

V

I

K

T

D

D

R
|
R

S

V

K

K

D

D

I

M

I

I

I

K

S

I

G

S

G

G

E

E

N

W

I

V

S

S

L

L

E

E

V

L

E

E

E

D

A

I

L

L

Y

H

R

Q

H

H

P

Q

A

S

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

M

P

P

D

H

D

N

R

K

W

W

G

G

E

E

S

V

P

P

C

L

A

A

F

L

V

V

T

T

V

L

K

K

P

E

G

D

A

A

E

Q

R

-

P

V

S

T

E

E

S

K

D

E

I

L

Q

G

W

F

C

A

R

K

D

D

R

F

I

I

A

N

H

K

Y

G

K

I

V

L

P

A

R

R

T

E

V

A

-

L

-

K

-

V

-

K

V

I

F

V

S

D

D

E

L

I

P

A

K

K

T

T

S

S

T

V

G

G

K

K

I

V

Q

D

K

K

T

K

V

E

L

L

R

R

binding adenosine monophosphate: G291 (= G311), A293 (= A313), Y313 (= Y333), M315 (≠ L335), S316 (≠ T336), D406 (= D428), R421 (= R443)
binding 7-methoxy-7-oxidanylidene-heptanoic acid: W225 (= W244), G290 (= G310), G312 (≠ M332), G314 (= G334), M315 (≠ L335), P320 (≠ G340), I321 (≠ P341)

8i8dA Acyl-acp synthetase structure bound to mc7-acp (see paper)
30% identity, 94% coverage: 19:541/556 of query aligns to 4:526/529 of 8i8dA

query
sites
8i8dA

D

D

P

P

A

S

N

N

H

Y

V

Q

P

L

L

L

-

I

-

K

-

N

-

L

-

F

S

S

P

P

L

V

S

A

F

F

L

-

K

-

R

-

A

-

K

-

V

-

Y

N

P

P

D

E

K

Q

P

E

A

I

I

V

R

Y

H

A

G

N

R

H

R

R

T

R

I

H

T

S

Y

Y

A

K

Q

T

F

F

H

H

D

D

R

R

V

V

R

R

R

Q

F

F

A

A

G

N

A

A

L

L

L

T

R

K

A

M

G

G

V

V

R

K

G

G

D

D

T

T

V

V

S

A

V

V

L

M

A

D

P

Y

N

D

V

S

P

H

A

R

L

Y

L

L

E

E

A

C

H

Y

Y

F

A

A

V

I

P

P

L

M

A

I

G

G

A

A

V

K

L

L

N

H

A

M

L

I

N

N

T

V

R
|
R

L

L

D

S

A

P

A

E

A

Q

I

I

A

L

F

Y

I

T

L

I

D

D

H

H

S

A

E

E

T

D

K

D

L

I

I

L

V

I

D

H

R

E

E

E

L

F

S

L

P

P

V

I

A

L

K

D

A

Q

A

I

L

K

A

G

R

R

T

I

E

D

R

T

P

V

I

T

T

R

L

Y

V

V

E

V

I

L

A

R

D

D

E

D

Q

E

A

E

P

-

D

-

A

-

P

-

S

-

L

-

G

-

A

-

V

C

E

E

Y

Y

E

E

D

R

F

L

L

L

A

E

A

Q

A

-

D

E

P

S

A

T

P

E

W

Y

H

N

G

F

P

P

D

D

-

F

D

D

E

E

W

N

Q

T

A

V

I

A

A

T

L

T

N

F

Y

Y

T

T

S

T

G

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

V

F

Y

F

H

T

H

H

R

R

G

Q

A

L

Y

V

L

L

N

H

A

T

L

M

G

G

-

I

-

L

-

S

-

T

-

I

-

G

-

T

N

N

A

A

F

S

T

Q

L

G

N

R

V

L

R

H

P

Q

E

G

S

D

V

I

F

Y

L

M

W

P

T

I

L

T

P
|
P

M

M

F

F

H
|
H

C

V

N

H

G

A

W
|
W

T

G

Y

L

S

P

W

Y

A

M

V

A

T

T

A

M

A

L

G

G

G

V

T

K

H

Q

V

V

C

Y

L

P

R

G

R

K

V

Y

E

V

P

P

A

D

A

V

I

L

F

L

D

N

A

L

I

I

A

E

E

Q

L

E

G

K

V

V

T

T

H

F

L

S

C

H

G

C

A

V

P

P

I

T

V
x
I

L

L

N

H

M

L

L

L

I

L

H

S

A

S

P

P

A

K

A

S

V

K

R

A

R

M

P

D

A

F

P

S

R

G

R

W

V

K

I

V

V

V

G

-

T

I

G
|
G

A

A

A
|
A

P

L

P

P

S

K

A

A

V

L

L

C

A

K

G

S

M

A

A

L

T

E

L

R

G

D

F

I

E

D

V

V

V

F

H

A

M
x
G

Y
|
Y

G
|
G

L
x
M

T
x
S

E

E

C

T

Y

G

G
x
P

P

I

A

L

T

S

V

I

C

V

A

Q

P

L

Q

T

D

P

G

E

W

Q

E

L

D

E

L

L

D

D

A

V

D

D

G

Q

L

Q

A

A

L

E

Q

Y

F

R

A

S

R

K

Q

T

G

G

V

-

N

K

H

K

V

V

A

A

V

L

E

V

D

E

A

A

T

Y

V

I

L

V

D

D

R

E

E

D

T

M

G

N

R

K

P

-

V

L

P

P

A

H

D

D

A

G

Q

E

T

T

I

A

G

G

E

E

I

I

A

V

L

V

R

R

G

A

N

P

T

W

V

L

M

T

K

P

G

N

Y

Y

L

Y

K

K

N

D

P

N

A

K

A

N

T

S

K

K

E

A

A

L

L

W

K

R

D

G

G

G

W

Y

F

L

R

H

T

T

G

G

D
|
D

L

V

G

A

V

H

L

I

H

D

P

D

D

E

G

G

Y

F

I

I

E

K

V

I

K

T

D

D

R

R

S

V

K

K

D

D

I

M

I

I

I
x
K

S

I

G

S

G
|
G

E

E

N

W

I

V

S

S

L

L

E

E

V

L

E

E

E

D

A

I

L

L

Y

H

R

Q

H

H

P

Q

A

S

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

M

P

P

D

H

D

N

R

K

W

W

G

G

E

E

S

V

P

P

C

L

A

A

F

L

V

V

T

T

V

L

K

K

P

E

G

D

A

A

E

Q

R

-

P

V

S

T

E

E

S

K

D

E

I

L

Q

G

W

F

C

A

R

K

D

D

R

F

I

I

A

N

H

K

Y

G

K

I

V

L

P

A

R

R

T

E

V

A

-

L

-

K

-

V

-

K

V

I

F

V

S

D

D

E

L

I

P

A

K

K

T

T

S

S

T

V

G

G

K

K

I

V

Q

D

K

K

T

K

V

E

L

L

R

R

binding adenosine monophosphate: G292 (= G310), G293 (= G311), A295 (= A313), G314 (≠ M332), Y315 (= Y333), G316 (= G334), M317 (≠ L335), S318 (≠ T336), D408 (= D428), K429 (≠ I449)
binding 7-methoxy-7-oxidanylidene-heptanoic acid: H223 (= H240), W227 (= W244), G292 (= G310), G316 (= G334), P322 (≠ G340)
binding N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide: R93 (= R109), P220 (= P237), H223 (= H240), I269 (≠ V286), G432 (= G452)

8jylA Acyl-acp synthetase structure bound to c10-ams (see paper)
30% identity, 94% coverage: 19:541/556 of query aligns to 2:524/527 of 8jylA

query
sites
8jylA

D

D

P

P

A

S

N

N

H

Y

V

Q

P

L

L

L

-

I

-

K

-

N

-

L

-

F

S

S

P

P

L

V

S

A

F

F

L

-

K

-

R

-

A

-

K

-

V

-

Y

N

P

P

D

E

K

Q

P

E

A

I

I

V

R

Y

H

A

G

N

R

H

R

R

T

R

I

H

T

S

Y

Y

A

K

Q

T

F

F

H

H

D

D

R

R

V

V

R

R

R

Q

F

F

A

A

G

N

A

A

L

L

L

T

R

K

A

M

G

G

V

V

R

K

G

G

D

D

T

T

V

V

S

A

V

V

L

M

A

D

P

Y

N

D

V

S

P

H

A

R

L

Y

L

L

E

E

A

C

H

Y

Y

F

A

A

V

I

P

P

L

M

A

I

G

G

A

A

V

K

L

L

N

H

A

M

L

I

N

N

T

V

R

R

L

L

D

S

A

P

A

E

A

Q

I

I

A

L

F

Y

I

T

L

I

D

D

H

H

S

A

E

E

T

D

K

D

L

I

I

L

V

I

D

H

R

E

E

E

L

F

S

L

P

P

V

I

A

L

K

D

A

Q

A

I

L

K

A

G

R

R

T

I

E

D

R

T

P

V

I

T

T

R

L

Y

V

V

E

V

I

L

A

R

D

D

E

D

Q

E

A

E

P

-

D

-

A

-

P

-

S

-

L

-

G

-

A

-

V

C

E

E

Y

Y

E

E

D

R

F

L

L

L

A

E

A

Q

A

-

D

E

P

S

A

T

P

E

W

Y

H

N

G

F

P

P

D

D

-

F

D

D

E

E

W

N

Q

T

A

V

I

A

A

T

L

T

N

F

Y

Y

T

T

S

T

G

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

V

F

Y

F

H

T

H

H

R

R

G

Q

A

L

Y

V

L

L

N

H

A

T

L

M

G

G

-

I

-

L

-

S

-

T

-

I

-

G

-

T

N

N

A

A

F

S

T

Q

L

G

N

R

V

L

R

H

P

Q

E

G

S

D

V

I

F

Y

L

M

W

P

T

I

L

T

P

P

M

M

F

F

H

H

C

V

N

H

G

A

W
|
W

T

G

Y

L

S

P

W

Y

A

M

V

A

T

T

A

M

A

L

G

G

G

V

T

K

H

Q

V

V

C

Y

L

P

R

G

R

K

V

Y

E

V

P

P

A

D

A

V

I

L

F

L

D

N

A

L

I

I

A

E

E

Q

L

E

G

K

V

V

T

T

H

F

L

S

C

H

G

C

A

V

P

P

I

T

V

I

L

L

N

H

M

L

L

L

I

L

H

S

A

S

P

P

A

K

A

S

V

K

R

A

R

M

P

D

A

F

P

S

R

G

R

W

V

K

I

V

V

V

G

-

T

I

G
|
G

A
|
A

P

L

P

P

S

K

A

A

V

L

L

C

A

K

G

S

M

A

A

L

T

E

L

R

G

D

F

I

E

D

V

V

V

F

H

A

M
x
G

Y
|
Y

G
|
G

L
x
M

T
x
S

E
|
E

C

T

Y

G

G

P

P
x
I

A

L

T

S

V

I

C

V

A

Q

P

L

Q

T

D

P

G

E

W

Q

E

L

D

E

L

L

D

D

A

V

D

D

G

Q

L

Q

A

A

L

E

Q

Y

F

R

A

S

R

K

Q

T

G

G

V

-

N

K

H

K

V

V

A

A

V

L

E

V

D

E

A

A

T

Y

V

I

L

V

D

D

R

E

E

D

T

M

G

N

R

K

P

-

V

L

P

P

A

H

D

D

A

G

Q

E

T

T

I

A

G

G

E

E

I

I

A

V

L

V

R

R

G

A

N

P

T

W

V

L

M

T

K

P

G

N

Y

Y

L

Y

K

K

N

D

P

N

A

K

A

N

T

S

K

K

E

A

A

L

L

W

K

R

D

G

G

G

W

Y

F

L

R

H

T

T

G

G

D
|
D

L

V

G

A

V

H

L

I

H

D

P

D

D

E

G

G

Y

F

I

I

E

K

V

I

K

T

D

D

R
|
R

S

V

K

K

D

D

I

M

I

I

I
x
K

S

I

G

S

G

G

E

E

N
x
W

I

V

S

S

L

L

E

E

V

L

E

E

E

D

A

I

L

L

Y

H

R

Q

H

H

P

Q

A

S

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

M

P

P

D

H

D

N

R

K

W

W

G

G

E

E

S

V

P

P

C

L

A

A

F

L

V

V

T

T

V

L

K

K

P

E

G

D

A

A

E

Q

R

-

P

V

S

T

E

E

S

K

D

E

I

L

Q

G

W

F

C

A

R

K

D

D

R

F

I

I

A

N

H

K

Y

G

K

I

V

L

P

A

R

R

T

E

V

A

-

L

-

K

-

V

-

K

V

I

F

V

S

D

D

E

L

I

P

A

K

K

T

T

S

S

T

V

G

G

K

K

I

V

Q

D

K

K

T

K

V

E

L

L

R

R

binding magnesium ion: S316 (≠ T336), E317 (= E337)
binding [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate: W225 (= W244), G290 (= G310), G291 (= G311), A292 (= A312), A293 (= A313), G312 (≠ M332), Y313 (= Y333), G314 (= G334), M315 (≠ L335), S316 (≠ T336), I321 (≠ P341), D406 (= D428), R421 (= R443), K427 (≠ I449), W432 (≠ N454)

8i8eA Acyl-acp synthetase structure bound to c18:1-acp (see paper)
30% identity, 94% coverage: 19:541/556 of query aligns to 4:526/530 of 8i8eA

query
sites
8i8eA

D

D

P

P

A

S

N

N

H

Y

V

Q

P

L

L

L

-

I

-

K

-

N

-

L

-

F

S

S

P

P

L

V

S

A

F

F

L

-

K

-

R

-

A

-

K

-

V

-

Y

N

P

P

D

E

K

Q

P

E

A

I

I

V

R

Y

H

A

G

N

R

H

R

R

T

R

I

H

T

S

Y

Y

A

K

Q

T

F

F

H

H

D

D

R

R

V

V

R

R

R

Q

F

F

A

A

G

N

A

A

L

L

L

T

R

K

A

M

G

G

V

V

R

K

G

G

D

D

T

T

V

V

S

A

V

V

L

M

A

D

P

Y

N

D

V

S

P

H

A

R

L

Y

L

L

E

E

A

C

H

Y

Y

F

A

A

V

I

P

P

L

M

A

I

G

G

A

A

V

K

L

L

N

H

A

M

L

I

N

N

T

V

R
|
R

L

L

D

S

A

P

A

E

A

Q

I

I

A

L

F

Y

I

T

L

I

D

D

H

H

S

A

E

E

T

D

K

D

L

I

I

L

V

I

D

H

R

E

E

E

L

F

S

L

P

P

V

I

A

L

K

D

A

Q

A

I

L

K

A

G

R

R

T

I

E

D

R

T

P

V

I

T

T

R

L

Y

V

V

E

V

I

L

A

R

D

D

E

D

Q

E

A

E

P

-

D

-

A

-

P

-

S

-

L

-

G

-

A

-

V

C

E

E

Y

Y

E

E

D

R

F

L

L

L

A

E

A

Q

A

-

D

E

P

S

A

T

P

E

W

Y

H

N

G

F

P

P

D

D

-

F

D

D

E

E

W

N

Q

T

A

V

I

A

A

T

L

T

N

F

Y

Y

T

T

S

T

G

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

V

F

Y

F

H

T

H

H

R

R

G

Q

A

L

Y

V

L

L

N

H

A

T

L

M

G

G

-

I

-

L

-

S

-

T

-

I

-

G

-

T

N

N

A

A

F

S

T

Q

L

G

N

R

V

L

R

H

P

Q

E

G

S

D

V

I

F

Y

L

M

W

P

T

I

L

T

P
|
P

M

M

F

F

H
|
H

C

V

N

H

G

A

W

W

T

G

Y

L

S

P

W

Y

A

M

V

A

T

T

A

M

A

L

G

G

G

V

T

K

H

Q

V

V

C

Y

L

P

R

G

R

K

V

Y

E

V

P

P

A

D

A

V

I

L

F

L

D

N

A

L

I

I

A

E

E

Q

L

E

G

K

V

V

T

T

H

F

L

S

C

H

G

C

A

V

P

P

I

T

V

I

L

L

N

H

M

L

L

L

I

L

H

S

A

S

P

P

A

K

A

S

V

K

R

A

R

M

P

D

A

F

P

S

R

G

R

W

V

K

I

V

V

V

G

-

T

I

G
|
G

A
|
A

P

L

P

P

S

K

A

A

V

L

L

C

A

K

G

S

M

A

A

L

T

E

L

R

G

D

F

I

E

D

V

V

V

F

H

A

M
x
G

Y
|
Y

G

G

L
x
M

T
x
S

E

E

C

T

Y

G

G

P

P

I

A

L

T

S

V

I

C

V

A

Q

P

L

Q

T

D

P

G

E

W

Q

E

L

D

E

L

L

D

D

A

V

D

D

G

Q

L

Q

A

A

L

E

Q

Y

F

R

A

S

R

K

Q

T

G

G

V

-

N

K

H

K

V

V

A

A

V

L

E

V

D

E

A

A

T

Y

V

I

L

V

D

D

R

E

E

D

T

M

G

N

R

K

P

-

V

L

P

P

A

H

D

D

A

G

Q

E

T

T

I

A

G

G

E

E

I

I

A

V

L

V

R

R

G

A

N

P

T

W

V

L

M

T

K

P

G

N

Y

Y

L

Y

K

K

N

D

P

N

A

K

A

N

T

S

K

K

E

A

A

L

L

W

K

R

D

G

G

G

W

Y

F

L

R

H

T

T

G

G

D
|
D

L

V

G

A

V

H

L

I

H

D

P

D

D

E

G

G

Y

F

I

I

E

K

V

I

K

T

D

D

R
|
R

S

V

K

K

D

D

I

M

I

I

I

K

S

I

G

S

G

G

E

E

N

W

I

V

S

S

L

L

E

E

V

L

E

E

E

D

A

I

L

L

Y

H

R

Q

H

H

P

Q

A

S

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

M

P

P

D

H

D

N

R

K

W

W

G

G

E

E

S

V

P

P

C

L

A

A

F

L

V

V

T

T

V

L

K

K

P

E

G

D

A

A

E

Q

R

-

P

V

S

T

E

E

S

K

D

E

I

L

Q

G

W

F

C

A

R

K

D

D

R

F

I

I

A

N

H

K

Y

G

K

I

V

L

P

A

R

R

T

E

V

A

-

L

-

K

-

V

-

K

V

I

F

V

S

D

D

E

L

I

P

A

K

K

T

T

S

S

T

V

G

G

K

K

I

V

Q

D

K

K

T

K

V

E

L

L

R

R

binding adenosine monophosphate: G292 (= G310), G293 (= G311), A294 (= A312), A295 (= A313), G314 (≠ M332), Y315 (= Y333), M317 (≠ L335), S318 (≠ T336), D408 (= D428), R423 (= R443)
binding 4'-phosphopantetheine: R93 (= R109), P220 (= P237), H223 (= H240)

8i49A Acyl-acp synthetase structure bound to atp (see paper)
30% identity, 94% coverage: 19:541/556 of query aligns to 4:526/530 of 8i49A

query
sites
8i49A

D

D

P

P

A

S

N

N

H

Y

V

Q

P

L

L

L

-

I

-

K

-

N

-

L

-

F

S

S

P

P

L

V

S

A

F

F

L

-

K

-

R

-

A

-

K

-

V

-

Y

N

P

P

D

E

K

Q

P

E

A

I

I

V

R

Y

H

A

G

N

R

H

R

R

T

R

I

H

T

S

Y

Y

A

K

Q

T

F

F

H

H

D

D

R

R

V

V

R

R

R

Q

F

F

A

A

G

N

A

A

L

L

L

T

R

K

A

M

G

G

V

V

R

K

G

G

D

D

T

T

V

V

S

A

V

V

L

M

A

D

P

Y

N

D

V

S

P

H

A

R

L

Y

L

L

E

E

A

C

H

Y

Y

F

A

A

V

I

P

P

L

M

A

I

G

G

A

A

V

K

L

L

N

H

A

M

L

I

N

N

T

V

R

R

L

L

D

S

A

P

A

E

A

Q

I

I

A

L

F

Y

I

T

L

I

D

D

H

H

S

A

E

E

T

D

K

D

L

I

I

L

V

I

D

H

R

E

E

E

L

F

S

L

P

P

V

I

A

L

K

D

A

Q

A

I

L

K

A

G

R

R

T

I

E

D

R

T

P

V

I

T

T

R

L

Y

V

V

E

V

I

L

A

R

D

D

E

D

Q

E

A

E

P

-

D

-

A

-

P

-

S

-

L

-

G

-

A

-

V

C

E

E

Y

Y

E

E

D

R

F

L

L

L

A

E

A

Q

A

-

D

E

P

S

A

T

P

E

W

Y

H

N

G

F

P

P

D

D

-

F

D

D

E

E

W

N

Q

T

A

V

I

A

A

T

L

T

N

F

Y

Y

T

T

S

T

G
|
G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

V

F

Y

F

H

T

H

H

R

R

G

Q

A

L

Y

V

L

L

N

H

A

T

L

M

G

G

-

I

-

L

-

S

-

T

-

I

-

G

-

T

N

N

A

A

F

S

T

Q

L

G

N

R

V

L

R

H

P

Q

E

G

S

D

V

I

F

Y

L

M

W

P

T

I

L

T

P

P

M

M

F

F

H

H

C

V

N

H

G

A

W

W

T

G

Y

L

S

P

W

Y

A

M

V

A

T

T

A

M

A

L

G

G

G

V

T

K

H

Q

V

V

C

Y

L

P

R

G

R

K

V

Y

E

V

P

P

A

D

A

V

I

L

F

L

D

N

A

L

I

I

A

E

E

Q

L

E

G

K

V

V

T

T

H

F

L

S

C

H

G

C

A

V

P

P

I

T

V

I

L

L

N

H

M

L

L

L

I

L

H

S

A

S

P

P

A

K

A

S

V

K

R

A

R

M

P

D

A

F

P

S

R

G

R

W

V

K

I

V

V

V

G

-

T

I

G

G

G
|
G

A
|
A

P

L

P

P

S

K

A

A

V

L

L

C

A

K

G

S

M

A

A

L

T

E

L

R

G

D

F

I

E

D

V

V

V

F

H

A

M

G

Y
|
Y

G
|
G

L
x
M

T
x
S

E

E

C

T

Y

G

G

P

P

I

A

L

T

S

V

I

C

V

A

Q

P

L

Q

T

D

P

G

E

W

Q

E

L

D

E

L

L

D

D

A

V

D

D

G

Q

L

Q

A

A

L

E

Q

Y

F

R

A

S

R

K

Q

T

G

G

V

-

N

K

H

K

V

V

A

A

V

L

E

V

D

E

A

A

T

Y

V

I

L

V

D

D

R

E

E

D

T

M

G

N

R

K

P

-

V

L

P

P

A

H

D

D

A

G

Q

E

T

T

I

A

G

G

E

E

I

I

A

V

L

V

R

R

G

A

N

P

T

W

V

L

M

T

K

P

G

N

Y

Y

L

Y

K

K

N

D

P

N

A

K

A

N

T

S

K

K

E

A

A

L

L

W

K

R

D

G

G

G

W

Y

F

L

R

H

T

T

G

G

D
|
D

L

V

G

A

V

H

L

I

H

D

P

D

D

E

G

G

Y

F

I

I

E

K

V

I

K

T

D

D

R
|
R

S

V

K

K

D

D

I

M

I

I

I

K

S

I

G

S

G

G

E

E

N

W

I

V

S

S

L

L

E

E

V

L

E

E

E

D

A

I

L

L

Y

H

R

Q

H

H

P

Q

A

S

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

M

P

P

D

H

D

N

R

K

W

W

G

G

E

E

S

V

P

P

C

L

A

A

F

L

V

V

T

T

V

L

K

K

P

E

G

D

A

A

E

Q

R

-

P

V

S

T

E

E

S

K

D

E

I

L

Q

G

W

F

C

A

R

K

D

D

R

F

I

I

A

N

H

K

Y

G

K

I

V

L

P

A

R

R

T

E

V

A

-

L

-

K

-

V

-

K

V

I

F

V

S

D

D

E

L

I

P

A

K

K

T

T

S

S

T

V

G

G

K

K

I

V

Q

D

K

K

T

K

V

E

L

L

R

R

binding adenosine-5'-triphosphate: G174 (= G198), G293 (= G311), A294 (= A312), A295 (= A313), Y315 (= Y333), G316 (= G334), M317 (≠ L335), S318 (≠ T336), D408 (= D428), R423 (= R443)

8i22A Acyl-acp synthetase structure bound to pimelic acid monoethyl ester
30% identity, 94% coverage: 19:541/556 of query aligns to 4:526/530 of 8i22A

query
sites
8i22A

D

D

P

P

A

S

N

N

H

Y

V

Q

P

L

L

L

-

I

-

K

-

N

-

L

-

F

S

S

P

P

L

V

S

A

F

F

L

-

K

-

R

-

A

-

K

-

V

-

Y

N

P

P

D

E

K

Q

P

E

A

I

I

V

R

Y

H

A

G

N

R

H

R

R

T

R

I

H

T

S

Y

Y

A

K

Q

T

F

F

H

H

D

D

R

R

V

V

R

R

R

Q

F

F

A

A

G

N

A

A

L

L

L

T

R

K

A

M

G

G

V

V

R

K

G

G

D

D

T

T

V

V

S

A

V

V

L

M

A

D

P

Y

N

D

V

S

P

H

A

R

L

Y

L

L

E

E

A

C

H

Y

Y

F

A

A

V

I

P

P

L

M

A

I

G

G

A

A

V

K

L

L

N

H

A

M

L

I

N

N

T

V

R

R

L

L

D

S

A

P

A

E

A

Q

I

I

A

L

F

Y

I

T

L

I

D

D

H

H

S

A

E

E

T

D

K

D

L

I

I

L

V

I

D

H

R

E

E

E

L

F

S

L

P

P

V

I

A

L

K

D

A

Q

A

I

L

K

A

G

R

R

T

I

E

D

R

T

P

V

I

T

T

R

L

Y

V

V

E

V

I

L

A

R

D

D

E

D

Q

E

A

E

P

-

D

-

A

-

P

-

S

-

L

-

G

-

A

-

V

C

E

E

Y

Y

E

E

D

R

F

L

L

L

A

E

A

Q

A

-

D

E

P

S

A

T

P

E

W

Y

H

N

G

F

P

P

D

D

-

F

D

D

E

E

W

N

Q

T

A

V

I

A

A

T

L

T

N

F

Y

Y

T

T

S

T

G

G

T

T

G

G

N

F

P

P

K

K

G

G

V

V

V

F

Y

F

H

T

H

H

R

R

G

Q

A

L

Y

V

L

L

N

H

A

T

L

M

G

G

-

I

-

L

-

S

-

T

-

I

-

G

-

T

N

N

A

A

F

S

T

Q

L

G

N

R

V

L

R

H

P

Q

E

G

S

D

V

I

F

Y

L

M

W

P

T

I

L

T

P

P

M

M

F

F

H

H

C

V

N

H

G

A

W
|
W

T

G

Y

L

S

P

W

Y

A

M

V

A

T

T

A

M

A

L

G

G

G

V

T

K

H

Q

V

V

C

Y

L

P

R

G

R

K

V

Y

E

V

P

P

A

D

A

V

I

L

F

L

D

N

A

L

I

I

A

E

E

Q

L

E

G

K

V

V

T

T

H

F

L

S

C

H

G

C

A

V

P

P

I

T

V

I

L

L

N

H

M

L

L

L

I

L

H

S

A

S

P

P

A

K

A

S

V

K

R

A

R

M

P

D

A

F

P

S

R

G

R

W

V

K

I

V

V

V

G

-

T

I

G
|
G

G

G

A

A

P

L

P

P

S

K

A

A

V

L

L

C

A

K

G

S

M

A

A

L

T

E

L

R

G

D

F

I

E

D

V

V

V

F

H

A

M
x
G

Y
|
Y

G
|
G

L

M

T

S

E

E

C

T

Y

G

G
x
P

P
x
I

A

L

T

S

V
x
I

C

V

A

Q

P

L

Q

T

D

P

G

E

W

Q

E

L

D

E

L

L

D

D

A

V

D

D

G

Q

L

Q

A

A

L

E

Q

Y

F

R

A

S

R

K

Q

T

G

G

V

-

N

K

H

K

V

V

A

A

V

L

E

V

D

E

A

A

T

Y

V

I

L

V

D

D

R

E

E

D

T

M

G

N

R

K

P

-

V

L

P

P

A

H

D

D

A

G

Q

E

T

T

I

A

G

G

E

E

I

I

A

V

L

V

R

R

G

A

N

P

T

W

V

L

M

T

K

P

G

N

Y

Y

L

Y

K

K

N

D

P

N

A

K

A

N

T

S

K

K

E

A

A

L

L

W

K

R

D

G

G

G

W

Y

F

L

R

H

T

T

G

G

D

D

L

V

G

A

V

H

L

I

H

D

P

D

D

E

G

G

Y

F

I

I

E

K

V

I

K

T

D

D

R

R

S

V

K

K

D

D

I

M

I

I

I

K

S

I

G

S

G

G

E

E

N

W

I

V

S

S

L

L

E

E

V

L

E

E

E

D

A

I

L

L

Y

H

R

Q

H

H

P

Q

A

S

V

V

L

S

E

E

A

V

A

A

V

V

V

I

A

G

R

M

P

P

D

H

D

N

R

K

W

W

G

G

E

E

S

V

P

P

C

L

A

A

F

L

V

V

T

T

V

L

K

K

P

E

G

D

A

A

E

Q

R

-

P

V

S

T

E

E

S

K

D

E

I

L

Q

G

W

F

C

A

R

K

D

D

R

F

I

I

A

N

H

K

Y

G

K

I

V

L

P

A

R

R

T

E

V

A

-

L

-

K

-

V

-

K

V

I

F

V

S

D

D

E

L

I

P

A

K

K

T

T

S

S

T

V

G

G

K

K

I

V

Q

D

K

K

T

K

V

E

L

L

R

R

binding 7-ethoxy-7-oxidanylidene-heptanoic acid: W227 (= W244), G292 (= G310), G314 (≠ M332), Y315 (= Y333), G316 (= G334), P322 (≠ G340), I323 (≠ P341), I326 (≠ V344)

6ijbB Structure of 3-methylmercaptopropionate coa ligase mutant k523a in complex with amp and mmpa (see paper)
33% identity, 87% coverage: 62:546/556 of query aligns to 50:535/538 of 6ijbB

query
sites
6ijbB

R

R

F

M

A

G

G

S

A

A

L

L

L

T

R

K

A

L

G

G

V

L

R

Q

R

P

G

Q

D

D

T

R

V

I

S

G

V

T

L

L

A

A

P

W

N

N

V

N

P

R

A

R

L

H

L

L

E

E

A

I

H

Y

Y

Y

A

A

V

A

P

S

L

G

A

A

G

G

A

F

V

V

L

C

N

H

A

T

L

I

N

N

T

P

R

R

L

L

D

F

A

P

A

E

A

Q

I

L

A

V

F

Y

I

I

L

I

D

N

H

H

S

A

E

Q

T

D

K

R

L

V

L

L

I

F

V

F

D

D

R

A

E

T

L

F

S

L

P

P

V

L

A

V

K

A

A

A

A

I

L

R

A

D

R

Q

T

L

E

T

R

E

P

V

I

K

T

H

L

F

V

V

E

L

I

M

A

G

D

P

E

R

Q

N

A

E

P

D

D

A

A

L

P

Q

S

Q

L

I

G

P

A

G

V

L

E

E

Y

F

E

Y

D

D

F

E

L

L

A

I

A

E

A

T

D

G

P

D

A

T

P

D

W

F

H

E

G

W

P

P

-

V

D

F

D

D

E

E

W

N

Q

T

A

A

I

S

A

S

L

L

N

C

Y

Y

T
|
T

S

S

G

G

T

T

G

G

N

H

P

P

K

K

G

G

V

V

V

L

Y

Y

H

S

H

H

R

R

G

S

A

T

Y

V

L

L

N
x
H

A

S

L

F

G

A

N

S

A

N

F

T

-

R

-

D

T

V

L

I

N

G

V

Y

R

S

P

A

E

M

S

D

V

V

F

V

L

M

W

P

T

V

L

V

P

P

M

M

F

F

H
|
H

C

V

N

N

G

A

W
|
W

T

G

Y

S

S

P

W

Y

A

G

V

C

T

A

A

M

A

S

G

G

G

A

T

Q

H

M

V

V

C

L

L

P

R

G

-

P

R

D

V

L

E

H

P

G

A

E

A

A

I

L

F

V

D

N

A

L

I

I

A

D

E

T

L

Y

G

G

V

V

T

T

H

L

L

A

C

M

G

G

A

V

P

P

I

T

V

I

L

W

N

Q

-

G

M

L

L

L

I

A

H

H

A

A

-

A

P

K

A

C

A

G

V

T

R

K

R

L

P

E

A

S

P

L

R

E

R

R

V

T

I

V

V

I

G

G

T

-

G
|
G

G
x
A

A
|
A

A

C

P

P

S

S

A

M

V

I

L

A

A

T

G

F

M

R

A

E

T

K

L

Y

G

G

F

V

E

D

V

T

V

V

H
|
H

M
x
A

Y
x
W

G
|
G

L
x
M

T
x
S

E
|
E

C

M

Y

S

G

P

P

L

A

G

T

T

V

A

C

N

A

I

P

P

Q

L

D

A

G

K

W

H

E

R

D

K

L

L

D

P

A

I

D

E

G

E

L

Q

A

H

L

K

Q

L

F

R

A

E

R

N

Q
|
Q

G

G

V

R

N

P

H

P

V

F

A

G

V

V

E

E

D

L

A

K

T

I

V

V

L

D

D

D

R

-

E

-

T

D

G

G

R

N

P

D

V

L

P

P

A

H

D

D

A

G

Q

V

T

T

I

Q

G

G

E

D

I

L

A

M

L

V

R

R

G

G

N

H

T

W

V

V

M

L

K

D

G

S

Y

Y

L

F

K

Q

N

-

P

-

A

L

A

K

T

D

K

Q

E

E

A

L

L

L

K

Q

D

D

G

G

W

W

F

F

R

A

T

T

G

G

D
|
D

L

V

G

A

V

T

L

L

H

D

P

P

D

D

G

G

Y

Y

I

M

E

T

V

I

K

R

D

D

R

R

S

S

K

K

D

D

I

I

I
x
K

S

S

G

G

E

E

N
x
W

I

I

S

S

L

V

E

E

V

L

E

E

E

N

A

I

L

A

Y

V

R

A

H

H

P

P

A

K

V

L

L

A

E

T

A

A

V

V

V

I

A

G

R

V

P

P

D

H

D

P

R

K

W

W

G

D

E

E

S

R

P

P

C

L

A

-

F

L

V

V

T

A

V

V

K

K

P

A

G

E

A

G

E

E

R

D

P

P

S

S

E

E

S

A

D

E

I

L

Q

E

W

F

C

F

R

D

D

G

R

K

I

I

A

A

H

K

Y

W

K

Q

V

V

P

P

R

D

T

K

V

V

F

F

S

V

D

D

-

A

L

L

P

P

K

L

T

N

S

A

T

T

G

G

K
x
A

I

V

Q

L

K

K

T

R

V

K

L

L

R

R

D

D

A

E

A

F

R

K

E

D

active site: T185 (= T196), H205 (≠ N216), H231 (= H240), S329 (≠ T336), E330 (= E337), K438 (≠ I449), W443 (≠ N454), A523 (≠ K534)
binding 3-(methylsulfanyl)propanoic acid: W235 (= W244), G303 (= G310), A325 (≠ M332), W326 (≠ Y333), G327 (= G334), M328 (≠ L335)
binding adenosine monophosphate: G303 (= G310), A304 (≠ G311), A305 (= A312), H324 (= H331), W326 (≠ Y333), G327 (= G334), M328 (≠ L335), S329 (≠ T336), Q359 (= Q366), D417 (= D428)

6ihkB Structure of mmpa coa ligase in complex with adp (see paper)
32% identity, 87% coverage: 62:546/556 of query aligns to 50:532/533 of 6ihkB

query
sites
6ihkB

R

R

F

M

A

G

G

S

A

A

L

L

L

T

R

K

A

L

G

G

V

L

R

Q

R

P

G

Q

D

D

T

R

V

I

S

G

V

T

L

L

A

A

P

W

N

N

V

N

P

R

A

R

L

H

L

L

E

E

A

I

H

Y

Y

Y

A

A

V

A

P

S

L

G

A

A

G

G

A

F

V

V

L

C

N

H

A

T

L

I

N

N

T

P

R

R

L

L

D

F

A

P

A

E

A

Q

I

L

A

V

F

Y

I

I

L

I

D

N

H

H

S

A

E

Q

T

D

K

R

L

V

L

L

I

F

V

F

D

D

R

A

E

T

L

F

S

L

P

P

V

L

A

V

K

A

A

A

A

I

L

R

A

D

R

Q

T

L

E

T

R

E

P

V

I

K

T

H

L

F

V

V

E

L

I

M

A

G

D

P

E

R

Q

N

A

E

P

D

D

A

A

L

P

Q

S

Q

L

I

G

P

A

G

V

L

E

E

Y

F

E

Y

D

D

F

E

L

L

A

I

A

E

A

T

D

G

P

D

A

T

P

D

W

F

H

E

G

W

P

P

-

V

D

F

D

D

E

E

W

N

Q

T

A

A

I

S

A

S

L

L

N

C

Y

Y

T
|
T

S

S

G

G

T

-

G

-

N

H

P

P

K

K

G

G

V

V

V

L

Y

Y

H

S

H

H

R

R

G

S

A

T

Y

V

L

L

N
x
H

A

S

L

F

G

A

N

S

A

N

F

T

-

R

-

D

T

V

L

I

N

G

V

Y

R

S

P

A

E

M

S

D

V

V

F

V

L

M

W

P

T

V

L

V

P

P

M

M

F

F

H
|
H

C

V

N

N

G

A

W

W

T

G

Y

S

S

P

W

Y

A

G

V

C

T

A

A

M

A

S

G

G

G

A

T

Q

H

M

V

V

C

L

L

P

R

G

-

P

R

D

V

L

E

H

P

G

A

E

A

A

I

L

F

V

D

N

A

L

I

I

A

D

E

T

L

Y

G

G

V

V

T

T

H

L

L

A

C

M

G

G

A

V

P

P

I

T

V

I

L

W

N

Q

-

G

M

L

L

L

I

A

H

H

A

A

-

A

P

K

A

C

A

G

V

T

R

K

R

L

P

E

A

S

P

L

R

E

R

R

V

T

I

V

V

I

G

G

T

-

G
|
G

G
x
A

A
|
A

A

C

P

P

S

S

A

M

V

I

L

A

A

T

G

F

M

R

A

E

T

K

L

Y

G

G

F

V

E

D

V

T

V

V

H
|
H

M
x
A

Y
x
W

G
|
G

L
x
M

T
x
S

E
|
E

C

M

Y

S

G

P

P

L

A

G

T

T

V

A

C

N

A

I

P

P

Q

L

D

A

G

K

W

H

E

R

D

K

L

L

D

P

A

I

D

E

G

E

L

Q

A

H

L

K

Q

L

F

R

A

E

R

N

Q
|
Q

G

G

V

R

N

P

H

P

V

F

A

G

V

V

E

E

D

L

A

K

T

I

V

V

L

D

D

D

R

-

E

-

T

D

G

G

R

N

P

D

V

L

P

P

A

H

D

D

A

G

Q

V

T

T

I

Q

G

G

E

D

I

L

A

M

L

V

R

R

G

G

N

H

T

W

V

V

M

L

K

D

G

S

Y

Y

L

F

K

Q

N

-

P

-

A

L

A

K

T

D

K

Q

E

E

A

L

L

L

K

Q

D

D

G

G

W

W

F

F

R

A

T

T

G

G

D
|
D

L

V

G

A

V

T

L

L

H

D

P

P

D

D

G

G

Y

Y

I

M

E

T

V

I

K

R

D

D

R
|
R

S

S

K

K

D

D

I

I

I
x
K

S

S

G

G

E

E

N
x
W

I

I

S

S

L

V

E

E

V

L

E

E

E

N

A

I

L

A

Y

V

R

A

H

H

P

P

A

K

V

L

L

A

E

T

A

A

V

V

V

I

A

G

R

V

P

P

D

H

D

P

R

K

W

W

G

D

E

E

S

R

P

P

C

L

A

-

F

L

V

V

T

A

V

V

K

K

P

A

G

E

A

G

E

E

R

D

P

P

S

S

E

E

S

A

D

E

I

L

Q

E

W

F

C

F

R

D

D

G

R

K

I

I

A

A

H

K

Y

W

K

Q

V

V

P

P

R

D

T

K

V

V

F

F

S

V

D

D

-

A

L

L

P

P

K

L

T

N

S

A

T

T

G

G

K
|
K

I

V

Q

L

K

K

T

R

V

K

L

L

R

R

D

D

A

E

A

F

R

K

E

D

active site: T185 (= T196), H202 (≠ N216), H228 (= H240), S326 (≠ T336), E327 (= E337), K435 (≠ I449), W440 (≠ N454), K520 (= K534)
binding adenosine-5'-diphosphate: H228 (= H240), G300 (= G310), A301 (≠ G311), A302 (= A312), H321 (= H331), A322 (≠ M332), W323 (≠ Y333), G324 (= G334), M325 (≠ L335), S326 (≠ T336), Q356 (= Q366), D414 (= D428), R429 (= R443), K520 (= K534)

8wevA Crystal structure of feruoyl-coa synthetase complexed with amp from amycolatopsis thermoflava
35% identity, 92% coverage: 30:541/556 of query aligns to 8:484/486 of 8wevA

query
sites
8wevA

S

S

F

W

L

P

K

V

R

R

A

R

A

A

K

R

V

M

Y

S

P

P

D

H

K

A

P

T

A

A

I

V

R
|
R

H

H

G

G

R

G

R

T

T

A

I

L

T

T

Y

Y

A

A

Q

E

F

L

H

S

D

R

R

R

V

V

R

A

R

R

F

L

A

A

G

H

A

G

L

L

L

R

R

E

A

A

G

G

V

V

R

R

R

P

G

G

D

D

T

R

V

V

S

A

V

Y

L

L

A

G

P

P

N

N

V

H

P

P

A

A

L

Y

L

L

E

E

A

T

H

L

Y

F

A

A

V

C

P

G

L

Q

A

A

G

G

A

A

V

V

L

F

N

V

A

P

L

L

N

N

T

F

R

R

L

L

D

G

A

V

A

P

A

E

I

L

A

D

F

H

I

A

L

L

D

A

H

D

S

S

E

G

T

A

K

S

L

V

L

L

I

I

V

H

D

T

R

P

E

E

-

H

L

A

S

E

P

T

V

V

A

A

K

A

A

L

A

A

L

G

A

D

R

R

T

L

E

L

R

R

-

V

P

P

I

A

T

G

L

E

V

L

E

E

I

A

A

A

D

D

E

D

Q

E

A

P

P

L

D

D

A

L

P

P

S

V

L

-

G

-

A

-

V

-

E

-

Y

-

E

-

D

-

F

-

L

-

A

-

D

-

P

-

A

-

P

-

W

-

H

-

G

G

P

L

D

D

E

-

W

-

Q

-

A

V

I

C

A

L

L

L

N

M

Y

Y

T

T

S

S

G

G

T

-

G

-

N

R

P

P

K

K

G

G

V

A

V

M

Y

L

H

T

H

H

R

G

G

N

A

L

Y

T

L

W

N

N

A

C

L

V

G

N

N

V

A

L

F

V

T

E

L

T

N

D

V

L

R

A

P

S

E

D

S

E

V
x
R

F

A

L

L

W

V

T

A

L

A

P

P

M

L

F

F

H

H

C

A

N

A

G

A

W

L

T

G

Y

M

S

V

W

C

A

L

V

P

T

T

A

L

-

L

A

K

G

G

T

T

H

V

V

I

C

L

L

H

R

S

R

A

V

F

E

D

P

P

A

G

A

A

I

V

F

L

D

S

A

A

I

V

A

E

E

Q

L

E

G

R

V

V

T

T

H

L

L

V

C

F

G

G

A

V

P

P

I

T

V

M

L

Y

N

Q

M

A

L

I

I

A

H

A

A

H

P

P

A

R

A

W

V

R

R

S

R

T

P

D

A

L

P

S

R

S

R

L

V

R

I

T

V

L

G

L

T

C

G

G

G
|
G

A
|
A

A

P

P

V

P

P

S

A

A

D

V

L

L

A

A

G

G

R

M

Y

A

L

T

D

L

R

G

G

F

L

E

A

V

F

V

V

H

Q

M

G

Y
|
Y

G
|
G

L
x
M

T
|
T

E

E

C

A

Y

-

G

-

P

-

A

-

T

-

V

-

C

-

A

A

P

P

Q

-

D

-

G

G

W

V

E

L

D

V

L

L

D

D

A

R

D

A

G

H

L

V

A

A

L

E

Q

K

F

I

A

G

R

S

Q

A

G

G

V

V

N

P

H

S

V

F

A

F

V

T

E

D

D

-

A

-

T

V

V

R

L

V

D

A

R

G

E

P

T

S

G

G

R

E

P

P

V

V

P

P

A

P

D

G

A

E

Q

K

T

-

I

-

G

G

E

E

I

I

A

V

L

V

R

S

G

G

N

P

T

N

V

V

M

M

K

K

G

G

Y

Y

L

W

K

G

N

R

P

P

A

E

A

A

T

T

K

A

E

E

A

V

L

L

K

R

D

D

G

G

W

W

F

F

R

R

T

S

G

G

D
|
D

L

V

G

A

V

T

L

V

H

D

P

G

D

D

G

G

Y

Y

I

F

E

H

V

V

K

V

D

D

R
|
R

S

L

K

K

D

D

I

M

I

I

S

S

G

G

E

E

N

N

I

I

S

Y

S

P

L

A

E

E

V

V

E

E

E

N

A

E

L

L

Y

Y

R

G

H

Y

P

P

A

G

V

V

L

E

E

A

A

C

A

A

V

V

V

I

A

G

R

V

P

P

D

D

D

P

R

R

W

W

G

G

E

E

S

V

P

G

C

K

A

A

F

V

V

V

T

V

V

P

K

A

P

A

G

G

A

S

E

-

R

R

P

I

S

D

E

G

S

A

D

E

I

L

Q

A

W

W

C

L

R

R

D

T

R

R

I

L

A

A

H

G

Y

Y

K

K

V

V

P

P

R

K

T

S

V

V

V

E

F

F

S

T

D

D

-

R

L

L

P

P

K

T

T

T

S

G

T

S

G

G

K

K

I

I

Q

L

K

K

T

G

V

E

L

V

R

R

binding adenosine monophosphate: G267 (= G311), A268 (= A312), Y289 (= Y333), G290 (= G334), M291 (≠ L335), T292 (= T336), D371 (= D428), R386 (= R443)
binding magnesium ion: R24 (= R46), R186 (≠ V231)

5gtdA O-succinylbenzoate coa synthetase (mene) from bacillus subtilis in complex with the acyl-adenylate intermediate osb-amp (see paper)
29% identity, 93% coverage: 30:545/556 of query aligns to 6:481/484 of 5gtdA

query
sites
5gtdA

S

N

F

W

L

L

K

M

R

Q

A

R

A

A

K

Q

V

L

Y

T

P

P

D

E

K

R

P

I

A

A

I

L

R

I

H

Y

G

E

R

D

R

Q

T

T

I

V

T

T

Y

F

A

A

Q

E

F

L

H

F

D

A

R

A

V

S

R

K

R

R

F

M

A

A

G

E

A

Q

L

L

L

A

R

A

A

H

G

S

V

V

R

R

R

K

G

G

D

D

T

T

V

A

S

A

V

I

L

L

A

L

P

Q

N

N

V

R

P

A

A

E

L

M

L

V

E

Y

A

A

H

V

Y

H

A

A

V

C

P

F

L

L

A

L

G

G

A

V

V

K

L

A

N

V

A

L

L

L

N

N

T

T

R

K

L

L

D

S

A

T

A

H

A

E

I

R

A

L

F

F

I

Q

L

L

D

E

H

D

S

S

E

G

T

S

K

G

L

F

L

L

I

L

V

T

D

D

R

S

E

S

L

F

S

E

P

K

V

-

A

-

K

-

A

-

L

-

A

K

R

E

T

Y

E

E

R

H

P

I

I

V

T

Q

L

T

V

I

E

D

I

V

A

D

D

E

E

L

Q

M

A

K

P

E

D

A

A

A

P

E

S

E

L

I

G

E

A

I

V

E

E

A

Y

Y

E

M

D

Q

F

M

L

D

A

A

A

T

A

A

D

-

P

-

A

-

P

-

W

-

H

-

G

-

P

-

D

-

E

-

W

-

Q

-

A

-

I

-

A

T

L

L

N

M

Y

Y

T
|
T

S

S

G

G

T

T

G

G

N

K

P

P

K

K

G

G

V

V

V

Q

Y

Q

H

T

H

F

R

G

G

N

A

H

Y

Y

L

F

N
x
S

A

A

L

V

G

S

N

S

A

A

F

L

T

N

L

L

N

G

V

I

R

T

P

E

E

Q

S

D

V

R

F

W

L

L

W

I

T

A

L

L

P

P

M

L

F

F

H
|
H

C

I

N
x
S

G

G

W

L

T

S

Y

A

S

L

W

F

A

K

V

S

T

V

A

I

A

Y

G

G

G

M

T

T

H

V

V

V

C

L

L

H

R

Q

R

R

V

F

E

S

P

V

A

S

A

D

I

V

F

L

D

H

A

S

I

I

A

N

E

R

L

H

G

E

V

V

T

T

H

M

L

I

C

S

G
x
A

A

V

P

Q

I

T

V

M

L

L

N

A

M

S

L

L

I

L

H

E

A

E

P

T

A

N

A

-

V

-

R

R

R

C

P

P

A

E

P

S

R

I

R

R

V

C

I

I

V
x
L

G

L

T
x
G

G
|
G

A

P

A

A

P

P

P

L

S

-

A

P

V

L

L

L

A

E

G

E

M

C

A

R

T

E

L

K

G

G

F

F

E

P

V

V

V

F

H

Q

M

S

Y
|
Y

G
|
G

L
x
M

T
|
T

E
|
E

C

T

Y

C

G
x
S

P
x
Q

A

I

T

V

V

T

C

L

A

S

P

P

Q

E

D

F

G

S

W

M

E

E

D

K

L

L

D

G

A

S

D

A

G

G

L

K

A

P

L

L

Q

-

F

-

A

-

R

-

Q

-

G

-

V

-

N

-

H

-

V
x
F

A
x
S

V

C

E

E

D

I

A

K

T

I

V

E

L

R

D

D

R

G

E

Q

T

V

G

C

R

E

P

P

V

Y

P

E

A

H

D

-

A

-

Q

-

T

-

I

-

G

G

E

E

I

I

A

M

L

V

R

K

G

G

N

P

T

N

V

V

M

M

K

K

G

S

Y

Y

L

F

K

N

N

R

P

E

A

S

A

A

T

N

K

E

E

A

A

S

L

F

K

Q

D

N

G

G

W

W

F

L

R

K

T

T

G

G

D
|
D

L

L

G

G

V

Y

L

L

H

D

P

N

D

E

G

G

Y

F

I

L

E

Y

V
|
V

K

L

D

D

R

R

S

R

K

S

D

D

I

L

I

I

S

S

G

G

E

E

N

N

I

I

S

Y

S

P

L

A

E

E

V

V

E

E

E

S

A

V

L

L

Y

L

R

S

H

H

P

P

A

A

V

V

L

A

E

E

A

A

A

G

V

V

V

S

A

G

R

A

P

E

D

D

D

K

R

K

W

W

G

G

E

K

S

V

P

P

C

H

A

A

F

Y

V

L

T

V

V

L

-

H

K

K

P

P

G

-

A

-

E

-

R

-

P

V

S

S

E

A

S

G

D

E

I

L

I

T

Q

D

W

Y

C

C

R

K

D

E

R

R

I

L

A

A

H

K

Y

Y

K

K

V

I

P

P

-

A

R

K

T

F

V

F

V

V

F

L

S

D

D

R

L

L

P

P

K

R

T

N

S

A

T

S

G

N

K

K

I

L

Q

L

K

R

T

N

V

Q

L

L

R

K

D

D

A

A

A

R

R

K

active site: T151 (= T196), S171 (≠ N216), H195 (= H240), T288 (= T336), E289 (= E337)
binding adenosine-5'-monophosphate: G263 (= G310), G264 (= G311), Y285 (= Y333), G286 (= G334), M287 (≠ L335), T288 (= T336), D366 (= D428), V378 (= V440)
binding magnesium ion: F314 (≠ V371), S315 (≠ A372)
binding 2-succinylbenzoate: H195 (= H240), S197 (≠ N242), A237 (≠ G282), L260 (≠ V307), G262 (≠ T309), G263 (= G310), G286 (= G334), M287 (≠ L335), S292 (≠ G340), Q293 (≠ P341)

5x8fB Ternary complex structure of a double mutant i454ra456k of o- succinylbenzoate coa synthetase (mene) from bacillus subtilis bound with amp and its product analogue osb-ncoa at 1.76 angstrom (see paper)
29% identity, 93% coverage: 30:545/556 of query aligns to 6:481/485 of 5x8fB

query
sites
5x8fB

S

N

F

W

L

L

K

M

R

Q

A

R

A

A

K

Q

V

L

Y

T

P

P

D

E

K

R

P

I

A

A

I

L

R

I

H
x
Y

G
x
E

R

D

R

Q

T

T

I

V

T

T

Y

F

A

A

Q

E

F

L

H

F

D

A

R

A

V

S

R

K

R

R

F

M

A

A

G

E

A

Q

L

L

L

A

R

A

A

H

G

S

V

V

R

R

R

K

G

G

D

D

T

T

V

A

S

A

V

I

L

L

A

L

P

Q

N

N

V

R

P

A

A

E

L

M

L

V

E

Y

A

A

H

V

Y
x
H

A

A

V

C

P

F

L

L

A

L

G

G

A

V

V

K

L

A

N

V

A

L

L

L

N

N

T

T

R
x
K

L

L

D

S

A

T

A

H

A

E

I

R

A

L

F

F

I

Q

L

L

D

E

H

D

S

S

E

G

T

S

K

G

L

F

L

L

I

L

V

T

D

D

R

S

E

S

L

F

S

E

P

K

V

-

A

-

K

-

A

-

L

-

A

K

R

E

T

Y

E

E

R

H

P

I

I

V

T

Q

L

T

V

I

E

D

I

V

A

D

D

E

E

L

Q

M

A

K

P

E

D

A

A

A

P

E

S

E

L

I

G

E

A

I

V

E

E

A

Y

Y

E

M

D

Q

F

M

L

D

A

A

A

T

A

A

D

-

P

-

A

-

P

-

W

-

H

-

G

-

P

-

D

-

E

-

W

-

Q

-

A

-

I

-

A

T

L

L

N

M

Y

Y

T
|
T

S

S

G

G

T

T

G

G

N

K

P

P

K

K

G

G

V

V

V

Q

Y

Q

H

T

H

F

R

G

G

N

A

H

Y

Y

L

F

N
x
S

A

A

L

V

G

S

N

S

A

A

F

L

T
x
N

L

L

N

G

V

I

R

T

P

E

E

Q

S

D

V

R

F

W

L

L

W

I

T

A

L
|
L

P
|
P

M

L

F

F

H
|
H

C
x
I

N
x
S

G

G

W

L

T

S

Y

A

S
x
L

W

F

A

K

V

S

T

V

A

I

A

Y

G

G

G

M

T

T

H

V

V

V

C
x
L

L

H

R

Q

R

R

V

F

E

S

P

V

A

S

A

D

I

V

F

L

D

H

A

S

I

I

A

N

E

R

L

H

G

E

V

V

T

T

H

M

L

I

C

S

G
x
A

A
x
V

P

Q

I

T

V

M

L

L

N

A

M

S

L

L

I

L

H

E

A

E

P

T

A

N

A

-

V

-

R

R

R

C

P

P

A

E

P

S

R

I

R

R

V

C

I

I

V
x
L

G

L

T
x
G

G

G

A

P

A

A

P

P

P

L

S

-

A

P

V

L

L

L

A

E

G

E

M

C

A

R

T

E

L

K

G

G

F

F

E

P

V

V

V

F

H

Q

M

S

Y

Y

G
|
G

L
x
M

T
|
T

E
|
E

C

T

Y

C

G
x
S

P
x
Q

A

I

T

V

V
x
T

C
x
L

A
x
S

P

P

Q

E

D

F

G

S

W

M

E

E

D

K

L

L

D

G

A

S

D

A

G

G

L

K

A

P

L

L

Q

-

F

-

A

-

R

-

Q

-

G

-

V

-

N

-

H

-

V

F

A

S

V

C

E

E

D

I

A

K

T

I

V

E

L

R

D

D

R

G

E

Q

T

V

G

C

R

E

P

P

V

Y

P

E

A

H

D

-

A

-

Q

-

T

-

I

-

G

G

E

E

I

I

A

M

L

V

R

K

G

G

N

P

T

N

V

V

M

M

K

K

G

S

Y

Y

L

F

K

N

N

R

P

E

A

S

A

A

T

N

K

E

E

A

A

S

L

F

K

Q

D

N

G

G

W

W

F

L

R

K

T

T

G

G

D

D

L

L

G

G

V

Y

L

L

H

D

P

N

D

E

G

G

Y

F

I

L

E

Y

V

V

K

L

D

D

R

R

S

R

K

S

D

D

I

L

I

I

I
|
I

S
|
S

G
|
G

E
|
E

N
|
N

I

I

S

Y

S

P

L

A

E

E

V

V

E

E

E

S

A

V

L

L

Y

L

R

S

H

H

P

P

A

A

V

V

L

A

E

E

A

A

A

G

V

V

V

S

A

G

R

A

P

E

D

D

D

K

R
x
K

W
|
W

G

G

E

K

S

V

P

P

C

H

A

A

F

Y

V

L

T

V

V

L

-

H

K

K

P

P

G

-

A

-

E

-

R

-

P

V

S

S

E

A

S

G

D

E

I

L

I

T

Q

D

W

Y

C

C

R

K

D

E

R

R

I

L

A

A

H
x
K

Y
|
Y

K

K

V

R

P

P

R

K

T

K

V

F

F

V

S

L

D

D

-

R

L

L

P

P

K

R

T

N

S

A

T

S

G

N

K
|
K

I

L

Q

L

K

R

T

N

V

Q

L

L

R

K

D

D

A

A

A

R

R

K

active site: T151 (= T196), S171 (≠ N216), H195 (= H240), T288 (= T336), E289 (= E337), I387 (= I449), N392 (= N454), K470 (= K534)
binding magnesium ion: Y23 (≠ H47), E24 (≠ G48), H70 (≠ Y94), N178 (≠ T223), L202 (≠ S247), L214 (≠ C259), T296 (≠ V344), L297 (≠ C345), S298 (≠ A346)
binding o-succinylbenzoyl-N-coenzyme A: K85 (≠ R109), L191 (= L236), P192 (= P237), H195 (= H240), I196 (≠ C241), S197 (≠ N242), A237 (≠ G282), V238 (≠ A283), L260 (≠ V307), G262 (≠ T309), G286 (= G334), M287 (≠ L335), S292 (≠ G340), Q293 (≠ P341), S388 (= S450), G389 (= G451), G390 (= G452), E391 (= E453), K420 (≠ R482), W421 (= W483), K450 (≠ H515), Y451 (= Y516)

5busA O-succinylbenzoate coenzyme a synthetase (mene) from bacillus subtilis, in complex with amp (see paper)
29% identity, 93% coverage: 30:545/556 of query aligns to 5:478/481 of 5busA

query
sites
5busA

S

N

F

W

L

L

K

M

R

Q

A

R

A

A

K

Q

V

L

Y

T

P

P

D

E

K

R

P

I

A

A

I

L

R

I

H

Y

G

E

R

D

R

Q

T

T

I

V

T

T

Y

F

A

A

Q

E

F

L

H

F

D

A

R

A

V

S

R

K

R

R

F

M

A

A

G

E

A

Q

L

L

L

A

R

A

A

H

G

S

V

V

R

R

R

K

G

G

D

D

T

T

V

A

S

A

V

I

L

L

A

L

P

Q

N

N

V

R

P

A

A

E

L

M

L

V

E

Y

A

A

H

V

Y

H

A

A

V

C

P

F

L

L

A

L

G

G

A

V

V

K

L

A

N

V

A

L

L

L

N

N

T

T

R

K

L

L

D

S

A

T

A

H

A

E

I

R

A

L

F

F

I

Q

L

L

D

E

H

D

S

S

E

G

T

S

K

G

L

F

L

L

I

L

V

T

D

D

R

S

E

S

L

F

S

E

P

K

V

-

A

-

K

-

A

-

L

-

A

K

R

E

T

Y

E

E

R

H

P

I

I

V

T

Q

L

T

V

I

E

D

I

V

A

D

D

E

E

L

Q

M

A

K

P

E

D

A

A

A

P

E

S

E

L

I

G

E

A

I

V

E

E

A

Y

Y

E

M

D

Q

F

M

L

D

A

A

A

T

A

A

D

-

P

-

A

-

P

-

W

-

H

-

G

-

P

-

D

-

E

-

W

-

Q

-

A

-

I

-

A

T

L

L

N

M

Y

Y

T
|
T

S

S

G

G

T

T

G

G

N

K

P

P

K

K

G

G

V

V

V

Q

Y

Q

H

T

H

F

R

G

G

N

A

H

Y

Y

L

F

N
x
S

A

A

L

V

G

S

N

S

A

A

F

L

T

N

L

L

N

G

V

I

R

T

P

E

E

Q

S

D

V

R

F

W

L

L

W

I

T

A

L

L

P

P

M

L

F

F

H
|
H

C

I

N

S

G

G

W

L

T

S

Y

A

S

L

W

F

A

K

V

S

T

V

A

I

A

Y

G

G

G

M

T

T

H

V

V

V

C

L

L

H

R

Q

R

R

V

F

E

S

P

V

A

S

A

D

I

V

F

L

D

H

A

S

I

I

A

N

E

R

L

H

G

E

V

V

T

T

H

M

L

I

C

S

G

A

A

V

P

Q

I

T

V

M

L

L

N

A

M

S

L

L

I

L

H

E

A

E

P

T

A

N

A

-

V

-

R

R

R

C

P

P

A

E

P

S

R

I

R

R

V

C

I

I

V

L

G

L

T

G

G
|
G

A

P

A

A

P

P

P

L

S

-

A

P

V

L

L

L

A

E

G

E

M

C

A

R

T

E

L

K

G

G

F

F

E

P

V

V

V

F

H

Q

M
x
S

Y

Y

G

G

L
x
M

T
|
T

E
|
E

C

T

Y

C

G

S

P

Q

A

I

T

V

V

T

C

L

A

S

P

P

Q

E

D

F

G

S

W

M

E

E

D

K

L

L

D

G

A

S

D

A

G

G

L

K

A

P

L

L

Q

-

F

-

A

-

R

-

Q

-

G

-

V

-

N

-

H

-

V

F

A

S

V

C

E

E

D

I

A

K

T

I

V

E

L

R

D

D

R

G

E

Q

T

V

G

C

R

E

P

P

V

Y

P

E

A

H

D

-

A

-

Q

-

T

-

I

-

G

G

E

E

I

I

A

M

L

V

R

K

G

G

N

P

T

N

V

V

M

M

K

K

G

S

Y

Y

L

F

K

N

N

R

P

E

A

S

A

A

T

N

K

E

E

A

A

S

L

F

K

Q

D

N

G

G

W

W

F

L

R

K

T

T

G

G

D
|
D

L

L

G

G

V

Y

L

L

H

D

P

N

D

E

G

G

Y

F

I

L

E

Y

V
|
V

K

L

D

D

R
|
R

S

R

K

S

D

D

I

L

I

I

S

S

G

G

E

E

N

N

I

I

S

Y

S

P

L

A

E

E

V

V

E

E

E

S

A

V

L

L

Y

L

R

S

H

H

P

P

A

A

V

V

L

A

E

E

A

A

A

G

V

V

V

S

A

G

R

A

P

E

D

D

D

K

R

K

W

-

G

-

E

K

S

V

P

P

C

H

A

A

F

Y

V

L

T

V

V

L

-

H

K

K

P

P

G

-

A

-

E

-

R

-

P

V

S

S

E

A

S

G

D

E

I

L

I

T

Q

D

W

Y

C

C

R

K

D

E

R

R

I

L

A

A

H

K

Y

Y

K

K

V

I

P

P

-

A

R

K

T

F

V

F

V

V

F

L

S

D

D

R

L

L

P

P

K

R

T

N

S

A

T

S

G

N

K
|
K

I

L

Q

L

K

R

T

N

V

Q

L

L

R

K

D

D

A

A

A

R

R

K

active site: T150 (= T196), S170 (≠ N216), H194 (= H240), T287 (= T336), E288 (= E337)
binding adenosine monophosphate: H194 (= H240), G262 (= G310), G263 (= G311), S283 (≠ M332), M286 (≠ L335), T287 (= T336), D365 (= D428), V377 (= V440), R380 (= R443), K467 (= K534)

Query Sequence

>AZOBR_RS19480 FitnessBrowser__azobra:AZOBR_RS19480
MTGPFSRTASIFDRGLAPDPANHVPLSPLSFLKRAAKVYPDKPAIRHGRRTITYAQFHDR
VRRFAGALLRAGVRRGDTVSVLAPNVPALLEAHYAVPLAGAVLNALNTRLDAAAIAFILD
HSETKLLIVDRELSPVAKAALARTERPITLVEIADEQAPDAPSLGAVEYEDFLAAADPAP
WHGPDDEWQAIALNYTSGTTGNPKGVVYHHRGAYLNALGNAFTLNVRPESVFLWTLPMFH
CNGWTYSWAVTAAGGTHVCLRRVEPAAIFDAIAELGVTHLCGAPIVLNMLIHAPAAVRRP
APRRVIVGTGGAAPPSAVLAGMATLGFEVVHMYGLTECYGPATVCAPQDGWEDLDADGLA
LQFARQGVNHVAVEDATVLDRETGRPVPADAQTIGEIALRGNTVMKGYLKNPAATKEALK
DGWFRTGDLGVLHPDGYIEVKDRSKDIIISGGENISSLEVEEALYRHPAVLEAAVVARPD
DRWGESPCAFVTVKPGAERPSESDIIQWCRDRIAHYKVPRTVVFSDLPKTSTGKIQKTVL
RDAARELGERREAKSV

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory